2179857 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 14 14 15 15 16 17 17 17 18 18 19 19 20 20 21 21 22 22 24 24 25 26 27 27 29 29 30 30 31 31 32 32 33 33 34 34 35 36 36 37 38 38 39 40 40 41 23 28 7 9 42 8 9 11 23 46 20 28 52 8 12 13 10 21 22 12 16 43 16 44 15 18 29 23 27 45 19 24 32 30 33 28 31 25 26 25 47 26 48 34 36 49 50 35 51 38 53 35 54 37 55 40 56 39 58 37 57 59 41 60 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 2 1 2 1 1 1 2 1 2 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 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 8.43 5 5.0949 6.4887 6.6979 3.5 5.8319 6.6979 5.5 5 6.6979 5.8319 7.564 8.43 7.564 7.564 4 8.43 3.5 4 4 5.5 7.564 3.5 3.5 5 6.6979 4 9.3239 7.564 2.5 5.0415 9.3239 2.5 6.6979 4.0068 2 10.23 10.23 5.5693 5.0484 4.4882 5.295 8.1009 8.1009 6.161 3.69 6.12 2.88 5.31 6.161 2.88 9.3168 7.564 2.19 5.3453 2.19 9.3168 6.161 3.6907 1.38 10.7657 10.7657 6.1893 5.3564 4.1932 -4.2118 1.0261 0.2214 4.1932 -3.3458 1.6932 1.1932 0.1184 -0.7477 3.1932 2.6932 1.6932 6.1932 5.6932 2.6932 -5.9438 7.1932 -5.0778 -2.4797 -0.7477 -1.6137 4.6932 -6.8098 -1.6137 -2.4797 6.1932 -4.2118 5.6586 7.6932 -5.0778 -5.9278 7.7279 -6.8098 7.1932 -7.7198 -5.9438 6.1724 7.214 -6.8258 -7.7279 1.154 3.0032 1.3832 3.0032 4.5032 -0.2107 -1.6137 -1.6137 -3.0167 5.8832 -3.3458 5.0386 8.3132 -4.5409 -5.3873 -7.3468 8.3478 7.5032 -8.2532 -5.9438 5.8603 7.5261 -6.8234 -8.266 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 11 13 14 14 14 15 17 17 17 18 18 19 20 20 21 22 24 24 27 29 30 31 32 33 34 36 38 40 7 9 8 9 8 12 13 21 22 12 16 16 15 18 29 27 19 24 32 30 33 31 25 26 25 26 34 36 35 38 35 37 40 39 37 41 39 41 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 918 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07FB0000000000000000000000000000001600000003060C1830000000058C1F400001E00100000000C08819F0031D0F6C99000A8032772740082802DA512A00999213074D88868B2C0DDD1942508689402C8C9A71888C08E88008200041000201001040008200040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[6-(naphthalene-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-1-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[6-[[1-naphthalenyl(oxo)methyl]amino]-1H-benzimidazol-2-yl]phenyl]-1-naphthalenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-[6-(naphthalene-1-carbonylamino)-1<I>H</I>-benzimidazol-2-yl]phenyl]naphthalene-1-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[6-(naphthalene-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-1-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[6-(naphthalen-1-ylcarbonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-1-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[6-(1-naphthoylamino)-1H-benzimidazol-2-yl]phenyl]-1-naphthamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C35H24N4O2/c40-34(29-13-5-9-22-7-1-3-11-27(22)29)36-25-17-15-24(16-18-25)33-38-31-20-19-26(21-32(31)39-33)37-35(41)30-14-6-10-23-8-2-4-12-28(23)30/h1-21H,(H,36,40)(H,37,41)(H,38,39) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZLGFMNZMKCNDBU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 532.18992602 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C35H24N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 532.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)NC(=O)C6=CC=CC7=CC=CC=C76 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)NC(=O)C6=CC=CC7=CC=CC=C76 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 86.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 532.18992602 41 0 0 0 0 0 0 0 1 -1