3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide

C231H293Br2N51O18S2 — CID 160956440

IUPAC3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCn1ccnc1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccc(Br)c1)n2CCCn1ccnc1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCn1ccnc1.CN1CCN(CCCn2c(NC(=O)N3CCOCC3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN1CCN(CCCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN1CCN(CCCn2c(NC(=O)c3cccc(Br)c3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN1CCN(CCCn2c(NC(=O)c3cccs3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.COc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C31H39N7O2.C31H42N6O3.C30H39BrN6O2.C29H31N7O2.C28H31BrN6O2.C28H43N7O3.C28H38N6O2S.C26H30N6O2S/c1-35-17-19-37(20-18-35)15-6-16-38-28-14-13-26(36(2)30(40)25-7-4-3-5-8-25)21-27(28)33-31(38)34-29(39)24-11-9-23(22-32)10-12-24;1-34-18-20-36(21-19-34)16-7-17-37-28-15-12-25(35(2)30(39)24-8-5-4-6-9-24)22-27(28)32-31(37)33-29(38)23-10-13-26(40-3)14-11-23;1-34-16-18-36(19-17-34)14-7-15-37-27-13-12-25(35(2)29(39)22-8-4-3-5-9-22)21-26(27)32-30(37)33-28(38)23-10-6-11-24(31)20-23;1-34(28(38)23-6-3-2-4-7-23)24-12-13-26-25(18-24)32-29(36(26)16-5-15-35-17-14-31-20-35)33-27(37)22-10-8-21(19-30)9-11-22;1-33(27(37)20-7-3-2-4-8-20)23-11-12-25-24(18-23)31-28(32-26(36)21-9-5-10-22(29)17-21)35(25)15-6-14-34-16-13-30-19-34;1-31-13-15-33(16-14-31)11-6-12-35-25-10-9-23(32(2)26(36)22-7-4-3-5-8-22)21-24(25)29-27(35)30-28(37)34-17-19-38-20-18-34;1-31-15-17-33(18-16-31)13-7-14-34-24-12-11-22(32(2)27(36)21-8-4-3-5-9-21)20-23(24)29-28(34)30-26(35)25-10-6-19-37-25;1-30(25(34)19-7-3-2-4-8-19)20-10-11-22-21(17-20)28-26(29-24(33)23-9-5-16-35-23)32(22)14-6-13-31-15-12-27-18-31/h9-14,21,25H,3-8,15-20H2,1-2H3,(H,33,34,39);10-15,22,24H,4-9,16-21H2,1-3H3,(H,32,33,38);6,10-13,20-22H,3-5,7-9,14-19H2,1-2H3,(H,32,33,38);8-14,17-18,20,23H,2-7,15-16H2,1H3,(H,32,33,37);5,9-13,16-20H,2-4,6-8,14-15H2,1H3,(H,31,32,36);9-10,21-22H,3-8,11-20H2,1-2H3,(H,29,30,37);6,10-12,19-21H,3-5,7-9,13-18H2,1-2H3,(H,29,30,35);5,9-12,15-19H,2-4,6-8,13-14H2,1H3,(H,28,29,33)
InChIKeySWLIJJJOESYBTK-UHFFFAOYSA-N
MW4296.17 g/mol
LogP37.71
Rot. Bonds64

About 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide

3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 160956440) has the molecular formula C231H293Br2N51O18S2 and a molecular weight of 4296.17 g/mol. Its IUPAC name is 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID160956440
Molecular FormulaC231H293Br2N51O18S2
Molecular Weight4296.17 g/mol
Exact Mass4291.14
IUPAC Name3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCn1ccnc1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccc(Br)c1)n2CCCn1ccnc1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCn1ccnc1.CN1CCN(CCCn2c(NC(=O)N3CCOCC3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN1CCN(CCCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN1CCN(CCCn2c(NC(=O)c3cccc(Br)c3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN1CCN(CCCn2c(NC(=O)c3cccs3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.COc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C31H39N7O2.C31H42N6O3.C30H39BrN6O2.C29H31N7O2.C28H31BrN6O2.C28H43N7O3.C28H38N6O2S.C26H30N6O2S/c1-35-17-19-37(20-18-35)15-6-16-38-28-14-13-26(36(2)30(40)25-7-4-3-5-8-25)21-27(28)33-31(38)34-29(39)24-11-9-23(22-32)10-12-24;1-34-18-20-36(21-19-34)16-7-17-37-28-15-12-25(35(2)30(39)24-8-5-4-6-9-24)22-27(28)32-31(37)33-29(38)23-10-13-26(40-3)14-11-23;1-34-16-18-36(19-17-34)14-7-15-37-27-13-12-25(35(2)29(39)22-8-4-3-5-9-22)21-26(27)32-30(37)33-28(38)23-10-6-11-24(31)20-23;1-34(28(38)23-6-3-2-4-7-23)24-12-13-26-25(18-24)32-29(36(26)16-5-15-35-17-14-31-20-35)33-27(37)22-10-8-21(19-30)9-11-22;1-33(27(37)20-7-3-2-4-8-20)23-11-12-25-24(18-23)31-28(32-26(36)21-9-5-10-22(29)17-21)35(25)15-6-14-34-16-13-30-19-34;1-31-13-15-33(16-14-31)11-6-12-35-25-10-9-23(32(2)26(36)22-7-4-3-5-8-22)21-24(25)29-27(35)30-28(37)34-17-19-38-20-18-34;1-31-15-17-33(18-16-31)13-7-14-34-24-12-11-22(32(2)27(36)21-8-4-3-5-9-21)20-23(24)29-28(34)30-26(35)25-10-6-19-37-25;1-30(25(34)19-7-3-2-4-8-19)20-10-11-22-21(17-20)28-26(29-24(33)23-9-5-16-35-23)32(22)14-6-13-31-15-12-27-18-31/h9-14,21,25H,3-8,15-20H2,1-2H3,(H,33,34,39);10-15,22,24H,4-9,16-21H2,1-3H3,(H,32,33,38);6,10-13,20-22H,3-5,7-9,14-19H2,1-2H3,(H,32,33,38);8-14,17-18,20,23H,2-7,15-16H2,1H3,(H,32,33,37);5,9-13,16-20H,2-4,6-8,14-15H2,1H3,(H,31,32,36);9-10,21-22H,3-8,11-20H2,1-2H3,(H,29,30,37);6,10-12,19-21H,3-5,7-9,13-18H2,1-2H3,(H,29,30,35);5,9-12,15-19H,2-4,6-8,13-14H2,1H3,(H,28,29,33)
InChIKeySWLIJJJOESYBTK-UHFFFAOYSA-N
XLogP37.71
TPSA692.98 Ų
H-Bond Donors8
H-Bond Acceptors54
Rotatable Bonds64
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004296.17
LogP ≤ 537.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1054

Analyze 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-6-cyanopyridine-3-carboxamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide;4-bromo-N-[1-butyl-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;tert-butyl 4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxylate;N-[1-butyl-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylsulfonylbenzamide;3-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide;3-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 160719892
N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 58742868
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(2-phenylethyl)benzimidazol-2-yl]benzamide
CID 44588918
3-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(methylamino)-3-oxopropyl]benzimidazol-2-yl]benzamide
CID 58742518
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]benzimidazol-2-yl]benzamide
CID 163946570
4-cyano-N-[5-[(cyclohexylamino)methyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 58742754
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(2,4-dichlorophenyl)ethyl]benzimidazol-2-yl]benzamide
CID 44588947
4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(3-methoxypyrrolidin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 142860856
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide
CID 44588794
N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(methyl)amino]methyl]benzimidazol-2-yl]thiophene-2-carboxamide;4-chloro-N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide;3-[2-[(4-cyanobenzoyl)amino]-5-[[cyclohexyl(methyl)amino]methyl]benzimidazol-1-yl]propyl acetate;4-cyano-N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-cyano-N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[[cyclohexyl(methyl)amino]methyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 161147403
4-cyano-N-[5-(1-cyclohexyl-1-oxopropan-2-yl)-1-[3-(2-oxoimidazolidin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 11398386
N-[1-(2-aminoethyl)-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide
CID 58742894

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide (CID 160956440) is 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide is CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCn1ccnc1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccc(Br)c1)n2CCCn1ccnc1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCn1ccnc1.CN1CCN(CCCn2c(NC(=O)N3CCOCC3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN1CCN(CCCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN1CCN(CCCn2c(NC(=O)c3cccc(Br)c3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN1CCN(CCCn2c(NC(=O)c3cccs3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.COc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCCN2CCN(C)CC2)cc1.
What is the InChIKey of 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is SWLIJJJOESYBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O2.C31H42N6O3.C30H39BrN6O2.C29H31N7O2.C28H31BrN6O2.C28H43N7O3.C28H38N6O2S.C26H30N6O2S/c1-35-17-19-37(20-18-35)15-6-16-38-28-14-13-26(36(2)30(40)25-7-4-3-5-8-25)21-27(28)33-31(38)34-29(39)24-11-9-23(22-32)10-12-24;1-34-18-20-36(21-19-34)16-7-17-37-28-15-12-25(35(2)30(39)24-8-5-4-6-9-24)22-27(28)32-31(37)33-29(38)23-10-13-26(40-3)14-11-23;1-34-16-18-36(19-17-34)14-7-15-37-27-13-12-25(35(2)29(39)22-8-4-3-5-9-22)21-26(27)32-30(37)33-28(38)23-10-6-11-24(31)20-23;1-34(28(38)23-6-3-2-4-7-23)24-12-13-26-25(18-24)32-29(36(26)16-5-15-35-17-14-31-20-35)33-27(37)22-10-8-21(19-30)9-11-22;1-33(27(37)20-7-3-2-4-8-20)23-11-12-25-24(18-23)31-28(32-26(36)21-9-5-10-22(29)17-21)35(25)15-6-14-34-16-13-30-19-34;1-31-13-15-33(16-14-31)11-6-12-35-25-10-9-23(32(2)26(36)22-7-4-3-5-8-22)21-24(25)29-27(35)30-28(37)34-17-19-38-20-18-34;1-31-15-17-33(18-16-31)13-7-14-34-24-12-11-22(32(2)27(36)21-8-4-3-5-9-21)20-23(24)29-28(34)30-26(35)25-10-6-19-37-25;1-30(25(34)19-7-3-2-4-8-19)20-10-11-22-21(17-20)28-26(29-24(33)23-9-5-16-35-23)32(22)14-6-13-31-15-12-27-18-31/h9-14,21,25H,3-8,15-20H2,1-2H3,(H,33,34,39);10-15,22,24H,4-9,16-21H2,1-3H3,(H,32,33,38);6,10-13,20-22H,3-5,7-9,14-19H2,1-2H3,(H,32,33,38);8-14,17-18,20,23H,2-7,15-16H2,1H3,(H,32,33,37);5,9-13,16-20H,2-4,6-8,14-15H2,1H3,(H,31,32,36);9-10,21-22H,3-8,11-20H2,1-2H3,(H,29,30,37);6,10-12,19-21H,3-5,7-9,13-18H2,1-2H3,(H,29,30,35);5,9-12,15-19H,2-4,6-8,13-14H2,1H3,(H,28,29,33).
What are the key properties of 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide?
3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 4296.17 g/mol, XLogP of 37.71, 64 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;3-bromo-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]-4-methoxybenzamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]morpholine-4-carboxamide;N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 160956440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).