60178509 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 8 8 7 7 7 7 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 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 11 11 13 13 14 15 15 16 16 16 17 18 18 19 20 20 21 22 22 23 24 24 25 25 25 12 24 25 7 8 16 12 13 33 11 19 34 14 19 9 15 10 12 10 18 26 14 17 17 20 21 22 27 28 29 30 31 23 32 24 21 35 36 23 37 38 39 40 41 42 43 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 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 32 33 34 35 36 37 38 39 40 41 42 43 5.9409 12.4348 4.1671 6.8069 10.3512 10.3512 3.5 5.0749 4 4.9718 9.405 5.9409 7.673 9.405 2.5 3.9609 8.539 3.5 10.9348 7.673 8.539 2 2.5 11.9348 13.4348 5.4333 2.19 3.3542 3.833 4.5675 8.539 3.81 6.8069 10.5438 7.136 8.539 1.38 2.19 12.5174 11.8272 13.4348 14.0548 13.4348 -1.532 -1.898 -0.4371 -0.032 -0.2272 -1.8367 0.2999 -0.032 1.166 0.9567 -0.532 -0.532 -0.532 -1.532 0.2999 -1.4156 -0.032 2.032 -1.032 -1.532 -2.032 1.166 2.032 -1.032 -1.898 1.3708 -0.237 -1.2877 -2.0223 -1.5434 0.588 2.5689 0.588 0.3621 -1.842 -2.652 1.166 2.5689 -0.8199 -0.4214 -2.518 -1.898 -1.278 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 7 7 8 9 9 11 11 13 13 14 15 18 20 22 7 8 11 19 14 19 9 15 10 10 18 14 17 17 20 21 22 23 21 23 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 488 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 2 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 00000371E07BB000000000000000000000000000000162C0000030600000000000005801FE00001E00100000000C08A19F0633D0F7CD9400A8032772740482802DA712A009D921B874D88A68F2C0DDF1952508689402D8C9A71889809E00008000040200200001000008040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-1-methyl-indole-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-1-methyl-2-indolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(methoxymethyl)-3<I>H</I>-benzimidazol-5-yl]-1-methylindole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-1-methylindole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-1-methyl-indole-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-1-methyl-indole-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H18N4O2/c1-23-16-6-4-3-5-12(16)9-17(23)19(24)20-13-7-8-14-15(10-13)22-18(21-14)11-25-2/h3-10H,11H2,1-2H3,(H,20,24)(H,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MYTVVDZHVISYHC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.14297583 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H18N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2C=C1C(=O)NC3=CC4=C(C=C3)N=C(N4)COC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2C=C1C(=O)NC3=CC4=C(C=C3)N=C(N4)COC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.14297583 25 0 0 0 0 0 0 0 1 -1