67907487 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 8 7 7 7 7 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 2 2 2 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 10 11 11 12 12 13 13 14 14 14 15 16 17 18 19 6 7 10 9 10 17 18 19 30 31 8 20 21 9 13 11 12 17 22 15 23 16 24 18 25 15 16 19 26 27 28 29 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 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 9.5708 4.6783 4.6783 2 9.2136 4.9889 3.732 5.9674 3.732 5.2619 6.2781 6.6353 2.866 7.9244 7.2566 7.6138 2.866 2 8.903 4.9684 4.3751 5.8819 5.864 6.4427 2.866 7.4492 8.0279 2.866 1.4631 9.8203 8.7996 0.3398 -0.6913 -2.3008 -1.9961 2.0346 0.2592 -0.9961 0.4654 -1.9961 -1.4961 1.4159 -0.2789 -0.4961 0.8779 1.6222 -0.0727 -2.4961 -0.9961 1.0841 0.8789 0.3465 -1.4961 1.8774 -0.8682 0.1239 2.2115 -0.5341 -3.1161 -0.6861 2.1625 2.4961 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 7 7 8 8 9 11 12 13 14 14 7 10 9 10 17 18 9 13 11 12 17 15 16 18 15 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 327 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 1 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 00000371C073A0000000000000000000000000000001600000003C400000000000005801FC00001E00100000000C08C19E043DD0B74C1000A8033577740082802D3512A009D8213874D88868F2C0DDD1942508688002C8C9A71888008E40000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1-imidazo[4,5-c]pyridinylmethyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12N4O/c15-14(19)11-3-1-10(2-4-11)8-18-9-17-12-7-16-6-5-13(12)18/h1-7,9H,8H2,(H2,15,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YSIPEKLREVPOOZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.10111102 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1CN2C=NC3=C2C=CN=C3)C(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1CN2C=NC3=C2C=CN=C3)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.10111102 19 0 0 0 0 0 0 0 1 -1