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

C160H195ClN30O13S — CID 161147403

IUPACN-[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
SMILESCC(=O)OCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(CN(C)C3CCCCC3)ccc21.CN(Cc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCN1CCCC1=O)C1CCCCC1.CN(Cc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCO)C1CCCCC1.CN(Cc1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O)C1CCCCC1.COCCCn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CN(C)C3CCCCC3)ccc21.COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(CN(C)C3CCCCC3)ccc21
InChIInChI=1S/C30H36N6O2.C28H33N5O3.C27H33N5O2.C26H33ClN4O2.C26H31N5O2.C23H29N5O2S/c1-34(25-7-3-2-4-8-25)21-23-12-15-27-26(19-23)32-30(33-29(38)24-13-10-22(20-31)11-14-24)36(27)18-6-17-35-16-5-9-28(35)37;1-20(34)36-16-6-15-33-26-14-11-22(19-32(2)24-7-4-3-5-8-24)17-25(26)30-28(33)31-27(35)23-12-9-21(18-29)10-13-23;1-31(23-10-4-3-5-11-23)19-21-12-13-25-24(17-21)29-27(32(25)14-7-15-34-2)30-26(33)22-9-6-8-20(16-22)18-28;1-30(22-7-4-3-5-8-22)18-19-9-14-24-23(17-19)28-26(31(24)15-6-16-33-2)29-25(32)20-10-12-21(27)13-11-20;1-30(22-6-3-2-4-7-22)18-20-10-13-24-23(16-20)28-26(31(24)14-5-15-32)29-25(33)21-11-8-19(17-27)9-12-21;1-27(17-6-3-2-4-7-17)15-16-9-10-19-18(14-16)25-23(28(19)12-11-21(24)29)26-22(30)20-8-5-13-31-20/h10-15,19,25H,2-9,16-18,21H2,1H3,(H,32,33,38);9-14,17,24H,3-8,15-16,19H2,1-2H3,(H,30,31,35);6,8-9,12-13,16-17,23H,3-5,7,10-11,14-15,19H2,1-2H3,(H,29,30,33);9-14,17,22H,3-8,15-16,18H2,1-2H3,(H,28,29,32);8-13,16,22,32H,2-7,14-15,18H2,1H3,(H,28,29,33);5,8-10,13-14,17H,2-4,6-7,11-12,15H2,1H3,(H2,24,29)(H,25,26,30)
InChIKeyUOFVBWCMJOJQRZ-UHFFFAOYSA-N
MW2814.04 g/mol
LogP28.82
Rot. Bonds52

About 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

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 (PubChem CID 161147403) has the molecular formula C160H195ClN30O13S and a molecular weight of 2814.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161147403
Molecular FormulaC160H195ClN30O13S
Molecular Weight2814.04 g/mol
Exact Mass2811.49
IUPAC NameN-[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
SMILESCC(=O)OCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(CN(C)C3CCCCC3)ccc21.CN(Cc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCN1CCCC1=O)C1CCCCC1.CN(Cc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCO)C1CCCCC1.CN(Cc1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O)C1CCCCC1.COCCCn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CN(C)C3CCCCC3)ccc21.COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(CN(C)C3CCCCC3)ccc21
InChIInChI=1S/C30H36N6O2.C28H33N5O3.C27H33N5O2.C26H33ClN4O2.C26H31N5O2.C23H29N5O2S/c1-34(25-7-3-2-4-8-25)21-23-12-15-27-26(19-23)32-30(33-29(38)24-13-10-22(20-31)11-14-24)36(27)18-6-17-35-16-5-9-28(35)37;1-20(34)36-16-6-15-33-26-14-11-22(19-32(2)24-7-4-3-5-8-24)17-25(26)30-28(33)31-27(35)23-12-9-21(18-29)10-13-23;1-31(23-10-4-3-5-11-23)19-21-12-13-25-24(17-21)29-27(32(25)14-7-15-34-2)30-26(33)22-9-6-8-20(16-22)18-28;1-30(22-7-4-3-5-8-22)18-19-9-14-24-23(17-19)28-26(31(24)15-6-16-33-2)29-25(32)20-10-12-21(27)13-11-20;1-30(22-6-3-2-4-7-22)18-20-10-13-24-23(16-20)28-26(31(24)14-5-15-32)29-25(33)21-11-8-19(17-27)9-12-21;1-27(17-6-3-2-4-7-17)15-16-9-10-19-18(14-16)25-23(28(19)12-11-21(24)29)26-22(30)20-8-5-13-31-20/h10-15,19,25H,2-9,16-18,21H2,1H3,(H,32,33,38);9-14,17,24H,3-8,15-16,19H2,1-2H3,(H,30,31,35);6,8-9,12-13,16-17,23H,3-5,7,10-11,14-15,19H2,1-2H3,(H,29,30,33);9-14,17,22H,3-8,15-16,18H2,1-2H3,(H,28,29,32);8-13,16,22,32H,2-7,14-15,18H2,1H3,(H,28,29,33);5,8-10,13-14,17H,2-4,6-7,11-12,15H2,1H3,(H2,24,29)(H,25,26,30)
InChIKeyUOFVBWCMJOJQRZ-UHFFFAOYSA-N
XLogP28.82
TPSA524.51 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds52
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002814.04
LogP ≤ 528.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 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
4-cyano-N-[5-[[cyclopentylmethyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
CID 44589642
N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide
CID 58742769
1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid
CID 159567057
N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 58742868
4-cyano-N-[5-[(cyclohexylamino)methyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 58742754
N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(hydroxymethyl)benzamide
CID 58742704
3-cyano-N-[1-(3-methoxypropyl)-6-(piperidine-4-carbonyl)benzimidazol-2-yl]benzamide
CID 67045265
6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid
CID 10117609
2-[(4-chlorobenzoyl)amino]-N-cyclohexyl-N-methyl-1-(3-oxobutyl)benzimidazole-5-carboxamide
CID 59083099
4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
CID 58743010
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)OCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(CN(C)C3CCCCC3)ccc21.CN(Cc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCN1CCCC1=O)C1CCCCC1.CN(Cc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCO)C1CCCCC1.CN(Cc1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O)C1CCCCC1.COCCCn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CN(C)C3CCCCC3)ccc21.COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(CN(C)C3CCCCC3)ccc21.
What is the InChIKey of 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?
The InChIKey is UOFVBWCMJOJQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2.C28H33N5O3.C27H33N5O2.C26H33ClN4O2.C26H31N5O2.C23H29N5O2S/c1-34(25-7-3-2-4-8-25)21-23-12-15-27-26(19-23)32-30(33-29(38)24-13-10-22(20-31)11-14-24)36(27)18-6-17-35-16-5-9-28(35)37;1-20(34)36-16-6-15-33-26-14-11-22(19-32(2)24-7-4-3-5-8-24)17-25(26)30-28(33)31-27(35)23-12-9-21(18-29)10-13-23;1-31(23-10-4-3-5-11-23)19-21-12-13-25-24(17-21)29-27(32(25)14-7-15-34-2)30-26(33)22-9-6-8-20(16-22)18-28;1-30(22-7-4-3-5-8-22)18-19-9-14-24-23(17-19)28-26(31(24)15-6-16-33-2)29-25(32)20-10-12-21(27)13-11-20;1-30(22-6-3-2-4-7-22)18-20-10-13-24-23(16-20)28-26(31(24)14-5-15-32)29-25(33)21-11-8-19(17-27)9-12-21;1-27(17-6-3-2-4-7-17)15-16-9-10-19-18(14-16)25-23(28(19)12-11-21(24)29)26-22(30)20-8-5-13-31-20/h10-15,19,25H,2-9,16-18,21H2,1H3,(H,32,33,38);9-14,17,24H,3-8,15-16,19H2,1-2H3,(H,30,31,35);6,8-9,12-13,16-17,23H,3-5,7,10-11,14-15,19H2,1-2H3,(H,29,30,33);9-14,17,22H,3-8,15-16,18H2,1-2H3,(H,28,29,32);8-13,16,22,32H,2-7,14-15,18H2,1H3,(H,28,29,33);5,8-10,13-14,17H,2-4,6-7,11-12,15H2,1H3,(H2,24,29)(H,25,26,30).
What are the key properties of 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?
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 has a molecular weight of 2814.04 g/mol, XLogP of 28.82, 52 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161147403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).