20695057 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 9 10 10 11 11 12 13 13 14 15 15 16 16 17 17 17 18 18 19 19 19 20 20 21 21 21 22 23 24 24 24 26 27 27 28 29 29 30 32 32 33 34 34 35 35 36 36 37 37 38 38 39 40 40 41 25 31 7 9 42 8 9 12 25 48 18 31 55 8 11 13 10 15 16 12 43 14 14 44 45 22 46 23 47 25 26 29 22 23 20 26 34 30 35 27 28 36 49 50 28 31 32 51 33 37 52 30 53 54 33 56 57 38 58 39 59 40 60 41 61 39 62 63 41 64 65 2 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 2 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 16.0632 7.0693 11.6529 11.6529 15.1972 7.0693 12.5991 12.5991 11.0693 10.0693 13.4651 14.3311 13.4651 14.3311 9.5693 9.5693 16.9292 8.0693 18.6613 18.6613 4.0693 8.5693 8.5693 5.5693 16.0632 17.7952 3.5693 5.0693 16.9292 17.7952 6.5693 5.0693 4.0693 19.5552 19.5552 3.5624 2.5278 20.4613 20.4613 2.5208 2 11.4603 13.4651 13.4651 14.8681 9.8793 9.8793 15.1972 8.2593 8.2593 17.7952 5.3793 16.3923 17.7952 6.7593 5.3793 3.7593 19.548 19.548 3.8786 2.224 20.997 20.997 2.2129 1.38 -0.4423 -1.6743 0.8624 -0.747 1.0577 0.0577 0.5577 -0.4423 0.0577 0.0577 1.0577 0.5577 -0.9423 -0.4423 -0.8083 0.9237 1.0577 0.0577 1.0577 2.0577 -1.6743 -0.8083 0.9237 -0.8083 0.5577 0.5577 -0.8083 -1.6743 2.0577 2.5577 -0.8083 0.0577 0.0577 0.523 2.5924 -2.5843 -0.7923 1.0369 2.0785 -2.5924 -1.6903 1.4518 1.6777 -1.5623 -0.7523 -1.3452 1.4607 1.6777 -1.3452 1.4607 -0.0623 -2.2113 2.3677 3.1777 0.5946 0.5946 0.5946 -0.0969 3.2123 -3.1177 -0.2518 0.7248 2.3906 -3.1305 -1.6879 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 7 7 8 10 10 11 12 13 15 16 17 17 18 18 19 19 19 20 20 21 21 21 24 24 27 27 29 32 34 35 36 37 38 40 7 9 8 9 8 11 13 15 16 12 14 14 22 23 26 29 22 23 20 26 34 30 35 27 28 36 28 32 33 37 30 33 38 39 40 41 39 41 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 918 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07FB0000000000000000000000000000001600000003060C1830000000058C1F400001E00100000000C08819F0031D0F6C99000A8032772740082802DA512A00999213074D88868B2C0DDD1942508689402C8C9A71888C08EC8008200041000209001040008200040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[6-(naphthalene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[6-[[2-naphthalenyl(oxo)methyl]amino]-1H-benzimidazol-2-yl]phenyl]-2-naphthalenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-[6-(naphthalene-2-carbonylamino)-1<I>H</I>-benzimidazol-2-yl]phenyl]naphthalene-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[6-(naphthalene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[6-(naphthalen-2-ylcarbonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[6-(2-naphthoylamino)-1H-benzimidazol-2-yl]phenyl]-2-naphthamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C35H24N4O2/c40-34(27-11-9-22-5-1-3-7-25(22)19-27)36-29-15-13-24(14-16-29)33-38-31-18-17-30(21-32(31)39-33)37-35(41)28-12-10-23-6-2-4-8-26(23)20-28/h1-21H,(H,36,40)(H,37,41)(H,38,39) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AWTKUZUFELSRGN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 7.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 532.18992602 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C35H24N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 532.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)NC(=O)C6=CC7=CC=CC=C7C=C6 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)NC(=O)C6=CC7=CC=CC=C7C=C6 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 532.18992602 41 0 0 0 0 0 0 0 1 -1