9840300 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 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 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 6 6 7 8 8 9 9 9 10 10 11 12 13 13 14 15 16 16 17 17 18 18 19 20 20 21 22 22 23 24 25 21 24 6 8 12 7 12 14 22 23 23 25 7 10 11 13 16 11 15 17 15 26 27 28 14 29 18 30 19 31 20 21 19 32 33 24 34 35 25 36 37 38 39 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 2 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 32 33 34 35 36 37 38 39 2.5 7.127 7.127 9.7053 11.3142 6.1808 6.1808 7.4376 4.4487 5.3147 5.3147 7.7106 8.4161 8.7268 4.4487 6.7698 3.5827 8.059 7.0804 2.6691 3.4782 10.1136 10.4473 2 11.108 5.3147 5.3147 8.3306 8.8302 3.9118 6.1631 8.2516 6.6664 2.5402 3.9389 9.8046 10.3814 1.3834 11.5236 -3.1167 -0.1096 -1.719 2.2039 2.032 -0.4143 -1.4143 0.8409 -1.4143 0.0857 -1.9143 -0.9143 1.0472 1.9977 -0.4143 1.5852 -1.9143 2.742 2.5358 -1.5076 -2.9088 3.1167 1.5335 -2.2507 3.0105 0.7057 -2.5343 -0.9143 0.5857 -0.1043 1.4574 3.3313 2.9972 -0.9011 -3.3237 3.6542 0.917 -2.1859 3.4705 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 1 1 2 2 3 3 4 4 5 5 6 6 7 8 8 9 9 10 13 14 16 17 17 18 20 22 21 24 6 12 7 12 22 23 23 25 7 10 11 13 16 11 15 15 14 18 19 20 21 19 24 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 461 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 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 00000371C07BA000000000000000000000000000000162C4800030600000000000005801FE00001E00000000000C08E19E063DD4B70C1440A8033C77E40082882D3532A009D8213E7CD88C6EF2C4FDDB963928ECC013C8E9A798D9E39E88000040040000201000008008000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(3-furyl)-1-(3-imidazol-1-ylphenyl)benzimidazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(3-furanyl)-1-[3-(1-imidazolyl)phenyl]benzimidazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(furan-3-yl)-1-(3-imidazol-1-ylphenyl)benzimidazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(furan-3-yl)-1-(3-imidazol-1-ylphenyl)benzimidazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(furan-3-yl)-1-(3-imidazol-1-ylphenyl)benzimidazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(3-furyl)-1-(3-imidazol-1-ylphenyl)benzimidazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H14N4O/c1-2-17(23-8-7-21-13-23)11-18(3-1)24-14-22-19-10-15(4-5-20(19)24)16-6-9-25-12-16/h1-14H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QMKRPSVBKKEAKS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.11676108 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H14N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC(=C1)N2C=NC3=C2C=CC(=C3)C4=COC=C4)N5C=CN=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC(=C1)N2C=NC3=C2C=CC(=C3)C4=COC=C4)N5C=CN=C5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 48.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.11676108 25 0 0 0 0 0 0 0 1 -1