16084458 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 5 5 6 7 7 8 8 9 10 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 19 20 21 22 22 23 23 24 24 25 26 26 27 28 28 29 18 6 7 30 6 9 13 18 37 21 46 47 8 9 14 15 16 17 11 12 23 18 22 24 26 19 20 21 31 19 32 20 33 25 34 35 36 25 27 38 28 39 27 40 41 29 42 43 29 44 45 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 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 5.352 2.8153 4.4247 3.62 2.62 3.62 3.12 3.62 4.12 5.352 4.486 5.352 3.62 2.62 2.754 4.486 4.62 4.486 2.754 4.486 3.12 3.62 6.246 4.486 4.12 6.246 3.62 7.1521 7.1521 2.2259 2 2.217 5.023 5.24 2.217 5.023 3.0831 3.0831 6.2388 4.486 4.43 6.2388 3.0831 7.6878 7.6878 2.93 2 2.5651 -2.0185 -2.0185 2.5651 -5.5628 -1.4349 -2.9647 -0.4349 -2.9647 4.5651 4.0651 5.5651 1.5651 -3.8308 0.0651 0.0651 -3.8308 3.0651 1.0651 1.0651 -4.6968 4.5651 4.0304 6.0651 -4.6968 6.0998 5.5651 4.5443 5.5859 -1.8259 -3.8308 -0.2449 -0.2449 -3.8308 1.3751 1.3751 2.8751 4.2551 3.4105 6.6851 -5.2337 6.7197 5.8751 4.2322 5.898 -6.0998 -5.5628 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 2 2 3 3 7 7 8 8 9 10 10 10 11 12 12 13 13 14 15 16 17 21 22 23 24 26 28 6 7 6 9 9 14 15 16 17 11 12 23 22 24 26 19 20 21 19 20 25 25 27 28 27 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 575 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BA0000000000000000000000000000001600000003060C1800000000058C1F400001E00100000000C08819F0031D0F6C99000A8032772740082802DA512A00999213074D88868B2C0DDD1942508689402C8C9A71888C08E88008200041000201001040008200040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(6-amino-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-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-amino-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-amino-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-azanyl-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-amino-1H-benzimidazol-2-yl)phenyl]-1-naphthamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H18N4O/c25-17-10-13-21-22(14-17)28-23(27-21)16-8-11-18(12-9-16)26-24(29)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H,25H2,(H,26,29)(H,27,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KBWQPFYXNJITCK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.14806121 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H18N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.4 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)N 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)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 83.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.14806121 29 0 0 0 0 0 0 0 1 -1