60410291 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 35 8 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 1 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 9 9 9 10 10 10 11 11 12 13 14 14 15 15 16 16 17 17 18 19 19 20 20 21 21 22 22 23 13 6 13 32 8 11 33 8 12 7 8 24 9 10 25 26 27 28 29 30 31 12 14 15 16 17 34 18 35 19 20 18 36 37 21 38 22 39 23 40 23 41 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 6 3 7 8 24 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 41 9.7619 8.2619 6.7619 4.6783 4.6783 6.2619 6.7619 5.2619 7.7619 6.2619 3.732 3.732 7.7619 2.866 2.866 8.2619 2 2 9.2619 7.7619 9.7619 8.2619 9.2619 6.8819 7.0719 7.7619 8.3819 7.7619 6.7988 5.9519 5.7249 6.4519 4.8709 2.866 2.866 1.4631 1.4631 9.5719 7.1419 10.3819 7.9519 -3.0311 1.299 0.433 2.1038 0.4943 1.299 2.1651 1.299 2.1651 3.0311 1.799 0.799 0.433 2.299 0.299 -0.433 1.799 0.799 -0.433 -1.299 -1.299 -2.1651 -2.1651 1.299 2.702 1.5451 2.1651 2.7851 3.3411 3.568 2.7211 -0.1039 2.6931 2.919 -0.321 2.109 0.489 0.1039 -1.299 -1.299 -2.702 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 11 11 12 14 15 16 16 17 19 20 21 22 8 11 8 12 7 12 14 15 17 18 19 20 18 21 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 409 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 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 00000371E07B200000100000000000000000000000016000000030600000000000005801F400001E0050000001AD28C19F0433D0B6C99000A8032772740082802DA512A40999A13874F88868B2C09D91942108689602C8CBB71888008E02000000000000200400000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-4-bromo-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-bromobenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[1-(1<I>H</I>-benzimidazol-2-yl)-2-methylpropyl]-4-bromobenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-bromobenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-4-bromanyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-4-bromo-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H18BrN3O/c1-11(2)16(17-20-14-5-3-4-6-15(14)21-17)22-18(23)12-7-9-13(19)10-8-12/h3-11,16H,1-2H3,(H,20,21)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SCPBYFVERRRTGH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.06332 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H18BrN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)Br SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)Br Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 57.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.06332 23 1 0 1 0 0 0 0 1 -1