51361205 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 8 8 7 7 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 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 10 10 11 11 12 13 13 14 14 15 17 17 18 18 19 19 20 20 21 21 22 23 23 24 7 36 16 9 10 28 8 16 29 11 13 30 9 12 8 9 25 26 27 12 17 15 16 18 14 19 15 20 31 21 32 22 33 23 34 24 35 22 37 38 24 39 40 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 7 1 8 9 25 3 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 6.7619 7.7619 4.6783 7.7619 9.8455 4.6783 6.2619 6.7619 5.2619 3.732 9.2619 3.732 10.7917 10.7917 9.8455 8.2619 2.866 2.866 11.6577 11.6577 2 2 12.5238 12.5238 5.9519 6.1793 6.8695 4.8709 8.0719 9.6529 9.6529 2.866 2.866 11.6577 11.6577 7.3819 1.4631 1.4631 13.0607 13.0607 1.535 -1.9291 1.4737 -0.197 -0.2583 -0.1357 0.669 -0.197 0.669 1.169 -1.063 0.169 -0.5631 -1.563 -1.8678 -1.063 1.669 -0.331 -0.0631 -2.063 1.169 0.169 -0.5631 -1.563 1.2059 -0.4091 -0.8076 2.063 0.3399 0.331 -2.4571 2.289 -0.951 0.5569 -2.683 1.535 1.479 -0.141 -0.2531 -1.873 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 7 10 10 11 12 13 13 14 14 17 18 19 20 21 23 9 10 11 13 9 12 1 12 17 15 18 14 19 15 20 21 22 23 24 22 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 460 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 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB000000000000000000000000000000162C0000030600000000000005801FE00001E00100800000C1CE19F0631D0F6C99200A8032772740482802DA712A00999A1B874D88A78F2C0DDB1942108689602D8C9A71889809E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)-2-hydroxy-ethyl]-1H-indole-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(1<I>H</I>-benzimidazol-2-yl)-2-hydroxyethyl]-1<I>H</I>-indole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)-2-oxidanyl-ethyl]-1H-indole-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(1H-benzimidazol-2-yl)-2-hydroxy-ethyl]-1H-indole-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H16N4O2/c23-16(17-21-13-7-3-4-8-14(13)22-17)10-19-18(24)15-9-11-5-1-2-6-12(11)20-15/h1-9,16,20,23H,10H2,(H,19,24)(H,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GAYNDWRDCXLYRE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.12732577 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H16N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(N2)C(=O)NCC(C3=NC4=CC=CC=C4N3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(N2)C(=O)NCC(C3=NC4=CC=CC=C4N3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 93.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.12732577 24 1 0 1 0 0 0 0 1 -1