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

C222H261BrN44O25S2 — CID 160719892

IUPACN-[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
SMILESCCCCn1c(NC(=O)c2ccc(Br)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21.CCCCn1c(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCN1CCCC1=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCN1CCN(C(=O)OC(C)(C)C)CC1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)nc1)n2CCC(N)=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCN1CCCC1=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O.COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C34H43N7O4.2C30H34N6O3.C27H31N5O3.C27H34N4O4S.C26H31BrN4O2.C25H27N7O3.C23H27N5O3S/c1-34(2,3)45-33(44)40-19-16-39(17-20-40)18-21-41-29-15-14-27(38(4)31(43)26-8-6-5-7-9-26)22-28(29)36-32(41)37-30(42)25-12-10-24(23-35)11-13-25;1-34(29(39)22-9-3-2-4-10-22)24-13-14-26-25(19-24)32-30(33-28(38)23-11-5-8-21(18-23)20-31)36(26)17-7-16-35-15-6-12-27(35)37;1-34(29(39)23-7-3-2-4-8-23)24-14-15-26-25(19-24)32-30(33-28(38)22-12-10-21(20-31)11-13-22)36(26)18-6-17-35-16-5-9-27(35)37;1-31(26(34)20-9-4-3-5-10-20)22-12-13-24-23(17-22)29-27(32(24)14-7-15-35-2)30-25(33)21-11-6-8-19(16-21)18-28;1-4-5-17-31-24-16-13-21(30(2)26(33)20-9-7-6-8-10-20)18-23(24)28-27(31)29-25(32)19-11-14-22(15-12-19)36(3,34)35;1-3-4-16-31-23-15-14-21(30(2)25(33)19-8-6-5-7-9-19)17-22(23)28-26(31)29-24(32)18-10-12-20(27)13-11-18;1-31(24(35)16-5-3-2-4-6-16)19-9-10-21-20(13-19)29-25(32(21)12-11-22(27)33)30-23(34)17-7-8-18(14-26)28-15-17;1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h10-15,22,26H,5-9,16-21H2,1-4H3,(H,36,37,42);5,8,11,13-14,18-19,22H,2-4,6-7,9-10,12,15-17H2,1H3,(H,32,33,38);10-15,19,23H,2-9,16-18H2,1H3,(H,32,33,38);6,8,11-13,16-17,20H,3-5,7,9-10,14-15H2,1-2H3,(H,29,30,33);11-16,18,20H,4-10,17H2,1-3H3,(H,28,29,32);10-15,17,19H,3-9,16H2,1-2H3,(H,28,29,32);7-10,13,15-16H,2-6,11-12H2,1H3,(H2,27,33)(H,29,30,34);5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30)
InChIKeyRSYRYOJZIWRSQP-UHFFFAOYSA-N
MW4089.85 g/mol
LogP37.60
Rot. Bonds60

About 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

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 (PubChem CID 160719892) has the molecular formula C222H261BrN44O25S2 and a molecular weight of 4089.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID160719892
Molecular FormulaC222H261BrN44O25S2
Molecular Weight4089.85 g/mol
Exact Mass4085.91
IUPAC NameN-[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
SMILESCCCCn1c(NC(=O)c2ccc(Br)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21.CCCCn1c(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCN1CCCC1=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCN1CCN(C(=O)OC(C)(C)C)CC1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)nc1)n2CCC(N)=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCN1CCCC1=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O.COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C34H43N7O4.2C30H34N6O3.C27H31N5O3.C27H34N4O4S.C26H31BrN4O2.C25H27N7O3.C23H27N5O3S/c1-34(2,3)45-33(44)40-19-16-39(17-20-40)18-21-41-29-15-14-27(38(4)31(43)26-8-6-5-7-9-26)22-28(29)36-32(41)37-30(42)25-12-10-24(23-35)11-13-25;1-34(29(39)22-9-3-2-4-10-22)24-13-14-26-25(19-24)32-30(33-28(38)23-11-5-8-21(18-23)20-31)36(26)17-7-16-35-15-6-12-27(35)37;1-34(29(39)23-7-3-2-4-8-23)24-14-15-26-25(19-24)32-30(33-28(38)22-12-10-21(20-31)11-13-22)36(26)18-6-17-35-16-5-9-27(35)37;1-31(26(34)20-9-4-3-5-10-20)22-12-13-24-23(17-22)29-27(32(24)14-7-15-35-2)30-25(33)21-11-6-8-19(16-21)18-28;1-4-5-17-31-24-16-13-21(30(2)26(33)20-9-7-6-8-10-20)18-23(24)28-27(31)29-25(32)19-11-14-22(15-12-19)36(3,34)35;1-3-4-16-31-23-15-14-21(30(2)25(33)19-8-6-5-7-9-19)17-22(23)28-26(31)29-24(32)18-10-12-20(27)13-11-18;1-31(24(35)16-5-3-2-4-6-16)19-9-10-21-20(13-19)29-25(32(21)12-11-22(27)33)30-23(34)17-7-8-18(14-26)28-15-17;1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h10-15,22,26H,5-9,16-21H2,1-4H3,(H,36,37,42);5,8,11,13-14,18-19,22H,2-4,6-7,9-10,12,15-17H2,1H3,(H,32,33,38);10-15,19,23H,2-9,16-18H2,1H3,(H,32,33,38);6,8,11-13,16-17,20H,3-5,7,9-10,14-15H2,1-2H3,(H,29,30,33);11-16,18,20H,4-10,17H2,1-3H3,(H,28,29,32);10-15,17,19H,3-9,16H2,1-2H3,(H,28,29,32);7-10,13,15-16H,2-6,11-12H2,1H3,(H2,27,33)(H,29,30,34);5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30)
InChIKeyRSYRYOJZIWRSQP-UHFFFAOYSA-N
XLogP37.60
TPSA872.63 Ų
H-Bond Donors10
H-Bond Acceptors49
Rotatable Bonds60
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004089.85
LogP ≤ 537.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1049

Analyze 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 with MolForge

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Related Compounds

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
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
N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 58742868
3-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(methylamino)-3-oxopropyl]benzimidazol-2-yl]benzamide
CID 58742518
N-[1-(3-amino-3-oxopropyl)-2-[(4-cyanobenzoyl)amino]benzimidazol-5-yl]-N-methyl-2,6-dioxopiperidine-4-carboxamide;N-[1-(3-amino-3-oxopropyl)-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-[1-(3-amino-3-oxopropyl)-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-2-chloropyridine-4-carboxamide;N-[1-(3-amino-3-oxopropyl)-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-5-cyanothiophene-2-carboxamide;N-[1-(3-amino-3-oxopropyl)-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-methoxy-3-phenylmethoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[[2-(1H-indol-3-yl)acetyl]-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2-methyl-2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2-naphthalen-1-ylacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]benzamide;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]benzamide;6-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]pyridine-3-carboxamide;5-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]thiophene-2-carboxamide
CID 159582071
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-4-carboxamide
CID 44588740
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide
CID 44588794
N-[1-[3-[acetyl(ethyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-[acetyl(methyl)amino]propyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl(2-phenylpropanoyl)amino]benzimidazol-2-yl]-4-bromobenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-ethenylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethylbenzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-(2-methoxyethyl)benzamide;N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-oxo-1,2-dihydroindene-5-carboxamide;5-[2-[2-[(4-cyanobenzoyl)amino]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-1-yl]ethylamino]pentanoic acid;4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(ethylamino)propyl]benzimidazol-2-yl]benzamide;N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-5-phenylthiophene-2-carboxamide
CID 158589711
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(2-phenylethyl)benzimidazol-2-yl]benzamide
CID 44588918
N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(1,3-dioxolan-2-ylmethyl)benzamide
CID 58742879
N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(hydroxymethyl)benzamide
CID 58742704
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]benzimidazol-2-yl]benzamide
CID 163946570

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCn1c(NC(=O)c2ccc(Br)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21.CCCCn1c(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCN1CCCC1=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCN1CCN(C(=O)OC(C)(C)C)CC1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)nc1)n2CCC(N)=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCN1CCCC1=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O.COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21.
What is the InChIKey of 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?
The InChIKey is RSYRYOJZIWRSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O4.2C30H34N6O3.C27H31N5O3.C27H34N4O4S.C26H31BrN4O2.C25H27N7O3.C23H27N5O3S/c1-34(2,3)45-33(44)40-19-16-39(17-20-40)18-21-41-29-15-14-27(38(4)31(43)26-8-6-5-7-9-26)22-28(29)36-32(41)37-30(42)25-12-10-24(23-35)11-13-25;1-34(29(39)22-9-3-2-4-10-22)24-13-14-26-25(19-24)32-30(33-28(38)23-11-5-8-21(18-23)20-31)36(26)17-7-16-35-15-6-12-27(35)37;1-34(29(39)23-7-3-2-4-8-23)24-14-15-26-25(19-24)32-30(33-28(38)22-12-10-21(20-31)11-13-22)36(26)18-6-17-35-16-5-9-27(35)37;1-31(26(34)20-9-4-3-5-10-20)22-12-13-24-23(17-22)29-27(32(24)14-7-15-35-2)30-25(33)21-11-6-8-19(16-21)18-28;1-4-5-17-31-24-16-13-21(30(2)26(33)20-9-7-6-8-10-20)18-23(24)28-27(31)29-25(32)19-11-14-22(15-12-19)36(3,34)35;1-3-4-16-31-23-15-14-21(30(2)25(33)19-8-6-5-7-9-19)17-22(23)28-26(31)29-24(32)18-10-12-20(27)13-11-18;1-31(24(35)16-5-3-2-4-6-16)19-9-10-21-20(13-19)29-25(32(21)12-11-22(27)33)30-23(34)17-7-8-18(14-26)28-15-17;1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h10-15,22,26H,5-9,16-21H2,1-4H3,(H,36,37,42);5,8,11,13-14,18-19,22H,2-4,6-7,9-10,12,15-17H2,1H3,(H,32,33,38);10-15,19,23H,2-9,16-18H2,1H3,(H,32,33,38);6,8,11-13,16-17,20H,3-5,7,9-10,14-15H2,1-2H3,(H,29,30,33);11-16,18,20H,4-10,17H2,1-3H3,(H,28,29,32);10-15,17,19H,3-9,16H2,1-2H3,(H,28,29,32);7-10,13,15-16H,2-6,11-12H2,1H3,(H2,27,33)(H,29,30,34);5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30).
What are the key properties of 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?
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 has a molecular weight of 4089.85 g/mol, XLogP of 37.60, 60 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160719892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).