N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide

C271H287Cl4N51O30 — CID 158492436

IUPACN-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide
SMILESCC(=O)N(C)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CC(C)N(C(=O)C1CC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CC(C)N(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCc1cccc(Cl)c1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(Cl)cc1)n2CCc1cccc(Cl)c1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(=O)OC(C)(C)C.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(Cl)cc1)n2CCC(N)=O.Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(=O)OC(C)(C)C)cc1.Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)cc1
InChIInChI=1S/C31H30ClN5O2.C30H30Cl2N4O2.C30H38N4O4.C29H36N4O4.C28H32N6O3.C26H22N6O3.C26H31N5O3.C25H22ClN5O3.C25H26N6O3.C21H20N6O3/c1-36(30(39)24-7-3-2-4-8-24)26-14-15-28-27(19-26)34-31(35-29(38)23-12-10-22(20-33)11-13-23)37(28)17-16-21-6-5-9-25(32)18-21;1-35(29(38)22-7-3-2-4-8-22)25-14-15-27-26(19-25)33-30(34-28(37)21-10-12-23(31)13-11-21)36(27)17-16-20-6-5-9-24(32)18-20;1-20-11-13-21(14-12-20)27(36)32-29-31-24-19-23(33(5)28(37)22-9-7-6-8-10-22)15-16-25(24)34(29)18-17-26(35)38-30(2,3)4;1-29(2,3)37-25(34)17-18-33-24-16-15-22(32(4)27(36)21-13-9-6-10-14-21)19-23(24)30-28(33)31-26(35)20-11-7-5-8-12-20;1-18(2)34(27(37)21-6-4-3-5-7-21)22-12-13-24-23(16-22)31-28(33(24)15-14-25(30)35)32-26(36)20-10-8-19(17-29)9-11-20;1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18;1-17-8-10-18(11-9-17)24(33)29-26-28-21-16-20(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)19-6-4-3-5-7-19;1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16;1-15(2)31(24(34)18-7-8-18)19-9-10-21-20(13-19)28-25(30(21)12-11-22(27)32)29-23(33)17-5-3-16(14-26)4-6-17;1-13(28)26(2)16-7-8-18-17(11-16)24-21(27(18)10-9-19(23)29)25-20(30)15-5-3-14(12-22)4-6-15/h5-6,9-15,18-19,24H,2-4,7-8,16-17H2,1H3,(H,34,35,38);5-6,9-15,18-19,22H,2-4,7-8,16-17H2,1H3,(H,33,34,37);11-16,19,22H,6-10,17-18H2,1-5H3,(H,31,32,36);5,7-8,11-12,15-16,19,21H,6,9-10,13-14,17-18H2,1-4H3,(H,30,31,35);8-13,16,18,21H,3-7,14-15H2,1-2H3,(H2,30,35)(H,31,32,36);2-12,15H,13-14H2,1H3,(H2,28,33)(H,29,30,34);8-13,16,19H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33);2-12,15H,13-14H2,1H3,(H2,27,32)(H,28,29,33);3-6,9-10,13,15,18H,7-8,11-12H2,1-2H3,(H2,27,32)(H,28,29,33);3-8,11H,9-10H2,1-2H3,(H2,23,29)(H,24,25,30)
InChIKeyHIWBVFRUFHKNRP-UHFFFAOYSA-N
MW4880.42 g/mol
LogP46.40
Rot. Bonds71

About N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide

N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide (PubChem CID 158492436) has the molecular formula C271H287Cl4N51O30 and a molecular weight of 4880.42 g/mol. Its IUPAC name is N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide
PubChem CID158492436
Molecular FormulaC271H287Cl4N51O30
Molecular Weight4880.42 g/mol
Exact Mass4875.13
IUPAC NameN-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide
SMILESCC(=O)N(C)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CC(C)N(C(=O)C1CC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CC(C)N(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCc1cccc(Cl)c1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(Cl)cc1)n2CCc1cccc(Cl)c1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(=O)OC(C)(C)C.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(Cl)cc1)n2CCC(N)=O.Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(=O)OC(C)(C)C)cc1.Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)cc1
InChIInChI=1S/C31H30ClN5O2.C30H30Cl2N4O2.C30H38N4O4.C29H36N4O4.C28H32N6O3.C26H22N6O3.C26H31N5O3.C25H22ClN5O3.C25H26N6O3.C21H20N6O3/c1-36(30(39)24-7-3-2-4-8-24)26-14-15-28-27(19-26)34-31(35-29(38)23-12-10-22(20-33)11-13-23)37(28)17-16-21-6-5-9-25(32)18-21;1-35(29(38)22-7-3-2-4-8-22)25-14-15-27-26(19-25)33-30(34-28(37)21-10-12-23(31)13-11-21)36(27)17-16-20-6-5-9-24(32)18-20;1-20-11-13-21(14-12-20)27(36)32-29-31-24-19-23(33(5)28(37)22-9-7-6-8-10-22)15-16-25(24)34(29)18-17-26(35)38-30(2,3)4;1-29(2,3)37-25(34)17-18-33-24-16-15-22(32(4)27(36)21-13-9-6-10-14-21)19-23(24)30-28(33)31-26(35)20-11-7-5-8-12-20;1-18(2)34(27(37)21-6-4-3-5-7-21)22-12-13-24-23(16-22)31-28(33(24)15-14-25(30)35)32-26(36)20-10-8-19(17-29)9-11-20;1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18;1-17-8-10-18(11-9-17)24(33)29-26-28-21-16-20(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)19-6-4-3-5-7-19;1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16;1-15(2)31(24(34)18-7-8-18)19-9-10-21-20(13-19)28-25(30(21)12-11-22(27)32)29-23(33)17-5-3-16(14-26)4-6-17;1-13(28)26(2)16-7-8-18-17(11-16)24-21(27(18)10-9-19(23)29)25-20(30)15-5-3-14(12-22)4-6-15/h5-6,9-15,18-19,24H,2-4,7-8,16-17H2,1H3,(H,34,35,38);5-6,9-15,18-19,22H,2-4,7-8,16-17H2,1H3,(H,33,34,37);11-16,19,22H,6-10,17-18H2,1-5H3,(H,31,32,36);5,7-8,11-12,15-16,19,21H,6,9-10,13-14,17-18H2,1-4H3,(H,30,31,35);8-13,16,18,21H,3-7,14-15H2,1-2H3,(H2,30,35)(H,31,32,36);2-12,15H,13-14H2,1H3,(H2,28,33)(H,29,30,34);8-13,16,19H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33);2-12,15H,13-14H2,1H3,(H2,27,32)(H,28,29,33);3-6,9-10,13,15,18H,7-8,11-12H2,1-2H3,(H2,27,32)(H,28,29,33);3-8,11H,9-10H2,1-2H3,(H2,23,29)(H,24,25,30)
InChIKeyHIWBVFRUFHKNRP-UHFFFAOYSA-N
XLogP46.40
TPSA1102.39 Ų
H-Bond Donors16
H-Bond Acceptors55
Rotatable Bonds71
Heavy Atoms356
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004880.42
LogP ≤ 546.40
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1055

Analyze N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide?
The IUPAC name of N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide (CID 158492436) is N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide.
What is the SMILES notation for N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide?
The canonical SMILES for N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide is CC(=O)N(C)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CC(C)N(C(=O)C1CC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CC(C)N(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCc1cccc(Cl)c1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(Cl)cc1)n2CCc1cccc(Cl)c1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(=O)OC(C)(C)C.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(Cl)cc1)n2CCC(N)=O.Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(=O)OC(C)(C)C)cc1.Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)cc1.
What is the InChIKey of N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide?
The InChIKey is HIWBVFRUFHKNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN5O2.C30H30Cl2N4O2.C30H38N4O4.C29H36N4O4.C28H32N6O3.C26H22N6O3.C26H31N5O3.C25H22ClN5O3.C25H26N6O3.C21H20N6O3/c1-36(30(39)24-7-3-2-4-8-24)26-14-15-28-27(19-26)34-31(35-29(38)23-12-10-22(20-33)11-13-23)37(28)17-16-21-6-5-9-25(32)18-21;1-35(29(38)22-7-3-2-4-8-22)25-14-15-27-26(19-25)33-30(34-28(37)21-10-12-23(31)13-11-21)36(27)17-16-20-6-5-9-24(32)18-20;1-20-11-13-21(14-12-20)27(36)32-29-31-24-19-23(33(5)28(37)22-9-7-6-8-10-22)15-16-25(24)34(29)18-17-26(35)38-30(2,3)4;1-29(2,3)37-25(34)17-18-33-24-16-15-22(32(4)27(36)21-13-9-6-10-14-21)19-23(24)30-28(33)31-26(35)20-11-7-5-8-12-20;1-18(2)34(27(37)21-6-4-3-5-7-21)22-12-13-24-23(16-22)31-28(33(24)15-14-25(30)35)32-26(36)20-10-8-19(17-29)9-11-20;1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18;1-17-8-10-18(11-9-17)24(33)29-26-28-21-16-20(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)19-6-4-3-5-7-19;1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16;1-15(2)31(24(34)18-7-8-18)19-9-10-21-20(13-19)28-25(30(21)12-11-22(27)32)29-23(33)17-5-3-16(14-26)4-6-17;1-13(28)26(2)16-7-8-18-17(11-16)24-21(27(18)10-9-19(23)29)25-20(30)15-5-3-14(12-22)4-6-15/h5-6,9-15,18-19,24H,2-4,7-8,16-17H2,1H3,(H,34,35,38);5-6,9-15,18-19,22H,2-4,7-8,16-17H2,1H3,(H,33,34,37);11-16,19,22H,6-10,17-18H2,1-5H3,(H,31,32,36);5,7-8,11-12,15-16,19,21H,6,9-10,13-14,17-18H2,1-4H3,(H,30,31,35);8-13,16,18,21H,3-7,14-15H2,1-2H3,(H2,30,35)(H,31,32,36);2-12,15H,13-14H2,1H3,(H2,28,33)(H,29,30,34);8-13,16,19H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33);2-12,15H,13-14H2,1H3,(H2,27,32)(H,28,29,33);3-6,9-10,13,15,18H,7-8,11-12H2,1-2H3,(H2,27,32)(H,28,29,33);3-8,11H,9-10H2,1-2H3,(H2,23,29)(H,24,25,30).
What are the key properties of N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide?
N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide has a molecular weight of 4880.42 g/mol, XLogP of 46.40, 71 rotatable bonds, 16 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclopropanecarbonyl(propan-2-yl)amino]benzimidazol-2-yl]-4-cyanobenzamide;tert-butyl 3-[2-benzamido-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoate;tert-butyl 3-[5-[cyclohexanecarbonyl(methyl)amino]-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]propanoate;4-chloro-N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide;N-[1-[2-(3-chlorophenyl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide is sourced from PubChem (CID 158492436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).