51360059 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 17 8 7 7 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 2 2 3 3 3 4 4 5 5 6 6 6 7 8 9 9 10 10 11 12 12 13 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 13 11 22 5 8 10 7 8 6 7 9 23 24 11 12 15 16 13 25 17 14 26 14 27 18 28 19 29 20 30 21 31 21 32 22 33 34 35 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 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 32 33 34 35 2 7.7157 4.5981 5.5443 5.5443 5.855 6.1279 4.5981 5.1871 3.732 7.1279 3.732 2.866 2.866 4.2086 5.4978 7.7157 3.5408 4.8299 8.6668 3.8514 8.6668 6.4019 6.2375 3.732 3.732 2.3291 4.016 6.1044 7.5241 2.9341 5.0225 9.1683 3.4374 9.1683 -0.5972 -0.7882 -1.0972 -2.4019 -0.7925 0.1581 -1.5972 -2.0972 0.9024 -0.5972 -1.5972 -2.5972 -1.0972 -2.0972 0.6961 1.8529 -2.4062 1.4404 2.5972 -2.0972 2.391 -1.0972 -0.134 0.646 0.0228 -3.2172 -2.4072 0.1068 1.9807 -2.9959 1.3126 3.1865 -2.4616 2.8524 -0.7328 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 3 4 4 5 8 9 9 10 11 12 13 15 16 17 18 19 20 11 22 5 8 10 7 8 7 12 15 16 13 17 14 14 18 19 20 21 21 22 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 374 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B20000400000000000000000000000001624000003C400000000000005801FC00001E02000000000C0EE19F263DB49F0C1C40A803BE77E40482882D3737A009D821BE7ED88E6EFAC5BFBBD739A8EEC013D8E9E798D9F39E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-benzyl-6-chloro-2-(2-furyl)imidazo[1,2-a]pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-chloro-2-(2-furanyl)-3-(phenylmethyl)imidazo[1,2-a]pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-benzyl-6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-benzyl-6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-chloranyl-2-(furan-2-yl)-3-(phenylmethyl)imidazo[1,2-a]pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-benzyl-6-chloro-2-(2-furyl)imidazo[1,2-a]pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H13ClN2O/c19-14-8-9-17-20-18(16-7-4-10-22-16)15(21(17)12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GJYMCSGMHDLWEC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.0716407 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H13ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 30.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.0716407 22 0 0 0 0 0 0 0 1 -1