N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide

C279H324F3N63O33 — CID 159148044

IUPACN-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide
SMILESCC(=O)N1CCN(C(=O)CCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CC(=O)N1CCN(CCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN(C(=O)C(F)(F)F)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)n2CCC(=O)N1CCN(C(N)=O)CC1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCN1CCN(C(N)=O)CC1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(O[13CH3])cc1)n2CCC(N)=O.CN1CCN(CCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.Cc1cccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)c1.Cc1ccccc1C(=O)Nc1nc2cc(N(C)C(=O)C3CCCCC3)ccc2n1CCC(N)=O.[13CH3]Oc1ccc(C(=O)Nc2nc3cc(N([13CH3])C(=O)C4CCCCC4)ccc3n2CCC(N)=O)cc1
InChIInChI=1S/C32H37N7O4.C31H36N8O4.C31H37N7O3.C30H36N8O3.C30H37N7O2.2C26H31N5O4.2C26H31N5O3.C21H17F3N6O3/c1-22(40)37-16-18-38(19-17-37)29(41)14-15-39-28-13-12-26(36(2)31(43)25-6-4-3-5-7-25)20-27(28)34-32(39)35-30(42)24-10-8-23(21-33)9-11-24;1-36(29(42)23-5-3-2-4-6-23)24-11-12-26-25(19-24)34-31(35-28(41)22-9-7-21(20-32)8-10-22)39(26)14-13-27(40)37-15-17-38(18-16-37)30(33)43;1-22(39)37-17-14-36(15-18-37)16-19-38-28-13-12-26(35(2)30(41)25-6-4-3-5-7-25)20-27(28)33-31(38)34-29(40)24-10-8-23(21-32)9-11-24;1-35(28(40)23-5-3-2-4-6-23)24-11-12-26-25(19-24)33-30(34-27(39)22-9-7-21(20-31)8-10-22)38(26)18-15-36-13-16-37(17-14-36)29(32)41;1-34-14-16-36(17-15-34)18-19-37-27-13-12-25(35(2)29(39)24-6-4-3-5-7-24)20-26(27)32-30(37)33-28(38)23-10-8-22(21-31)9-11-23;2*1-30(25(34)18-6-4-3-5-7-18)19-10-13-22-21(16-19)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17;1-17-8-6-7-11-20(17)24(33)29-26-28-21-16-19(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)18-9-4-3-5-10-18;1-17-7-6-10-19(15-17)24(33)29-26-28-21-16-20(11-12-22(21)31(26)14-13-23(27)32)30(2)25(34)18-8-4-3-5-9-18;1-29(19(33)21(22,23)24)14-6-7-16-15(10-14)27-20(30(16)9-8-17(26)31)28-18(32)13-4-2-12(11-25)3-5-13/h8-13,20,25H,3-7,14-19H2,1-2H3,(H,34,35,42);7-12,19,23H,2-6,13-18H2,1H3,(H2,33,43)(H,34,35,41);8-13,20,25H,3-7,14-19H2,1-2H3,(H,33,34,40);7-12,19,23H,2-6,13-18H2,1H3,(H2,32,41)(H,33,34,39);8-13,20,24H,3-7,14-19H2,1-2H3,(H,32,33,38);2*8-13,16,18H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33);6-8,11-13,16,18H,3-5,9-10,14-15H2,1-2H3,(H2,27,32)(H,28,29,33);6-7,10-12,15-16,18H,3-5,8-9,13-14H2,1-2H3,(H2,27,32)(H,28,29,33);2-7,10H,8-9H2,1H3,(H2,26,31)(H,27,28,32)/i;;;;;1+1,2+1;2+1;;;
InChIKeyKIXXOUJMIIAVJI-HIKZOWGVSA-N
MW5148.04 g/mol
LogP36.34
Rot. Bonds71

About N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide

N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide (PubChem CID 159148044) has the molecular formula C279H324F3N63O33 and a molecular weight of 5148.04 g/mol. Its IUPAC name is N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide
PubChem CID159148044
Molecular FormulaC279H324F3N63O33
Molecular Weight5148.04 g/mol
Exact Mass5144.57
IUPAC NameN-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide
SMILESCC(=O)N1CCN(C(=O)CCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CC(=O)N1CCN(CCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN(C(=O)C(F)(F)F)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)n2CCC(=O)N1CCN(C(N)=O)CC1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCN1CCN(C(N)=O)CC1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(O[13CH3])cc1)n2CCC(N)=O.CN1CCN(CCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.Cc1cccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)c1.Cc1ccccc1C(=O)Nc1nc2cc(N(C)C(=O)C3CCCCC3)ccc2n1CCC(N)=O.[13CH3]Oc1ccc(C(=O)Nc2nc3cc(N([13CH3])C(=O)C4CCCCC4)ccc3n2CCC(N)=O)cc1
InChIInChI=1S/C32H37N7O4.C31H36N8O4.C31H37N7O3.C30H36N8O3.C30H37N7O2.2C26H31N5O4.2C26H31N5O3.C21H17F3N6O3/c1-22(40)37-16-18-38(19-17-37)29(41)14-15-39-28-13-12-26(36(2)31(43)25-6-4-3-5-7-25)20-27(28)34-32(39)35-30(42)24-10-8-23(21-33)9-11-24;1-36(29(42)23-5-3-2-4-6-23)24-11-12-26-25(19-24)34-31(35-28(41)22-9-7-21(20-32)8-10-22)39(26)14-13-27(40)37-15-17-38(18-16-37)30(33)43;1-22(39)37-17-14-36(15-18-37)16-19-38-28-13-12-26(35(2)30(41)25-6-4-3-5-7-25)20-27(28)33-31(38)34-29(40)24-10-8-23(21-32)9-11-24;1-35(28(40)23-5-3-2-4-6-23)24-11-12-26-25(19-24)33-30(34-27(39)22-9-7-21(20-31)8-10-22)38(26)18-15-36-13-16-37(17-14-36)29(32)41;1-34-14-16-36(17-15-34)18-19-37-27-13-12-25(35(2)29(39)24-6-4-3-5-7-24)20-26(27)32-30(37)33-28(38)23-10-8-22(21-31)9-11-23;2*1-30(25(34)18-6-4-3-5-7-18)19-10-13-22-21(16-19)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17;1-17-8-6-7-11-20(17)24(33)29-26-28-21-16-19(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)18-9-4-3-5-10-18;1-17-7-6-10-19(15-17)24(33)29-26-28-21-16-20(11-12-22(21)31(26)14-13-23(27)32)30(2)25(34)18-8-4-3-5-9-18;1-29(19(33)21(22,23)24)14-6-7-16-15(10-14)27-20(30(16)9-8-17(26)31)28-18(32)13-4-2-12(11-25)3-5-13/h8-13,20,25H,3-7,14-19H2,1-2H3,(H,34,35,42);7-12,19,23H,2-6,13-18H2,1H3,(H2,33,43)(H,34,35,41);8-13,20,25H,3-7,14-19H2,1-2H3,(H,33,34,40);7-12,19,23H,2-6,13-18H2,1H3,(H2,32,41)(H,33,34,39);8-13,20,24H,3-7,14-19H2,1-2H3,(H,32,33,38);2*8-13,16,18H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33);6-8,11-13,16,18H,3-5,9-10,14-15H2,1-2H3,(H2,27,32)(H,28,29,33);6-7,10-12,15-16,18H,3-5,8-9,13-14H2,1-2H3,(H2,27,32)(H,28,29,33);2-7,10H,8-9H2,1H3,(H2,26,31)(H,27,28,32)/i;;;;;1+1,2+1;2+1;;;
InChIKeyKIXXOUJMIIAVJI-HIKZOWGVSA-N
XLogP36.34
TPSA1235.81 Ų
H-Bond Donors17
H-Bond Acceptors63
Rotatable Bonds71
Heavy Atoms378
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005148.04
LogP ≤ 536.34
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1063

Analyze N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide with MolForge

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What is the IUPAC name of N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide?
The IUPAC name of N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide (CID 159148044) is N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide is CC(=O)N1CCN(C(=O)CCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CC(=O)N1CCN(CCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.CN(C(=O)C(F)(F)F)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)n2CCC(=O)N1CCN(C(N)=O)CC1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCN1CCN(C(N)=O)CC1.CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(O[13CH3])cc1)n2CCC(N)=O.CN1CCN(CCn2c(NC(=O)c3ccc(C#N)cc3)nc3cc(N(C)C(=O)C4CCCCC4)ccc32)CC1.Cc1cccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)c1.Cc1ccccc1C(=O)Nc1nc2cc(N(C)C(=O)C3CCCCC3)ccc2n1CCC(N)=O.[13CH3]Oc1ccc(C(=O)Nc2nc3cc(N([13CH3])C(=O)C4CCCCC4)ccc3n2CCC(N)=O)cc1.
What is the InChIKey of N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide?
The InChIKey is KIXXOUJMIIAVJI-HIKZOWGVSA-N. The full InChI is InChI=1S/C32H37N7O4.C31H36N8O4.C31H37N7O3.C30H36N8O3.C30H37N7O2.2C26H31N5O4.2C26H31N5O3.C21H17F3N6O3/c1-22(40)37-16-18-38(19-17-37)29(41)14-15-39-28-13-12-26(36(2)31(43)25-6-4-3-5-7-25)20-27(28)34-32(39)35-30(42)24-10-8-23(21-33)9-11-24;1-36(29(42)23-5-3-2-4-6-23)24-11-12-26-25(19-24)34-31(35-28(41)22-9-7-21(20-32)8-10-22)39(26)14-13-27(40)37-15-17-38(18-16-37)30(33)43;1-22(39)37-17-14-36(15-18-37)16-19-38-28-13-12-26(35(2)30(41)25-6-4-3-5-7-25)20-27(28)33-31(38)34-29(40)24-10-8-23(21-32)9-11-24;1-35(28(40)23-5-3-2-4-6-23)24-11-12-26-25(19-24)33-30(34-27(39)22-9-7-21(20-31)8-10-22)38(26)18-15-36-13-16-37(17-14-36)29(32)41;1-34-14-16-36(17-15-34)18-19-37-27-13-12-25(35(2)29(39)24-6-4-3-5-7-24)20-26(27)32-30(37)33-28(38)23-10-8-22(21-31)9-11-23;2*1-30(25(34)18-6-4-3-5-7-18)19-10-13-22-21(16-19)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17;1-17-8-6-7-11-20(17)24(33)29-26-28-21-16-19(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)18-9-4-3-5-10-18;1-17-7-6-10-19(15-17)24(33)29-26-28-21-16-20(11-12-22(21)31(26)14-13-23(27)32)30(2)25(34)18-8-4-3-5-9-18;1-29(19(33)21(22,23)24)14-6-7-16-15(10-14)27-20(30(16)9-8-17(26)31)28-18(32)13-4-2-12(11-25)3-5-13/h8-13,20,25H,3-7,14-19H2,1-2H3,(H,34,35,42);7-12,19,23H,2-6,13-18H2,1H3,(H2,33,43)(H,34,35,41);8-13,20,25H,3-7,14-19H2,1-2H3,(H,33,34,40);7-12,19,23H,2-6,13-18H2,1H3,(H2,32,41)(H,33,34,39);8-13,20,24H,3-7,14-19H2,1-2H3,(H,32,33,38);2*8-13,16,18H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33);6-8,11-13,16,18H,3-5,9-10,14-15H2,1-2H3,(H2,27,32)(H,28,29,33);6-7,10-12,15-16,18H,3-5,8-9,13-14H2,1-2H3,(H2,27,32)(H,28,29,33);2-7,10H,8-9H2,1H3,(H2,26,31)(H,27,28,32)/i;;;;;1+1,2+1;2+1;;;.
What are the key properties of N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide?
N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide has a molecular weight of 5148.04 g/mol, XLogP of 36.34, 71 rotatable bonds, 17 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-acetylpiperazin-1-yl)ethyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl((113C)methyl)amino]benzimidazol-2-yl]-4-(113C)methoxy(13C2)benzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-(113C)methoxybenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-2-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methylbenzamide;N-[1-(3-amino-3-oxopropyl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzimidazol-2-yl]-4-cyanobenzamide;4-[2-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]ethyl]piperazine-1-carboxamide;4-[3-[2-[(4-cyanobenzoyl)amino]-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-1-yl]propanoyl]piperazine-1-carboxamide;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 159148044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).