N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

C123H142N20O17S5 — CID 159320927

IUPACN-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(=O)O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(=O)O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(=O)O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCO)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C28H30N4O2S.C25H30N4O4S.C24H28N4O4S.C23H26N4O4S.C23H28N4O3S/c1-31(22-11-6-3-7-12-22)27(34)21-14-15-24-23(19-21)29-28(30-26(33)25-13-8-18-35-25)32(24)17-16-20-9-4-2-5-10-20;1-28(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)26-25(27-23(32)21-10-7-15-34-21)29(20)14-6-5-11-22(30)31;1-27(17-7-3-2-4-8-17)23(32)16-11-12-19-18(15-16)25-24(28(19)13-5-10-21(29)30)26-22(31)20-9-6-14-33-20;1-26(16-6-3-2-4-7-16)22(31)15-9-10-18-17(14-15)24-23(27(18)12-11-20(28)29)25-21(30)19-8-5-13-32-19;1-26(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)24-23(27(19)12-6-13-28)25-21(29)20-9-5-14-31-20/h2,4-5,8-10,13-15,18-19,22H,3,6-7,11-12,16-17H2,1H3,(H,29,30,33);7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H,30,31)(H,26,27,32);6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3,(H,29,30)(H,25,26,31);5,8-10,13-14,16H,2-4,6-7,11-12H2,1H3,(H,28,29)(H,24,25,30);5,9-11,14-15,17,28H,2-4,6-8,12-13H2,1H3,(H,24,25,29)
InChIKeyLDTFXNCWRGNLKZ-UHFFFAOYSA-N
MW2332.95 g/mol
LogP23.99
Rot. Bonds38

About N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 159320927) has the molecular formula C123H142N20O17S5 and a molecular weight of 2332.95 g/mol. Its IUPAC name is N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID159320927
Molecular FormulaC123H142N20O17S5
Molecular Weight2332.95 g/mol
Exact Mass2330.95
IUPAC NameN-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(=O)O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(=O)O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(=O)O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCO)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C28H30N4O2S.C25H30N4O4S.C24H28N4O4S.C23H26N4O4S.C23H28N4O3S/c1-31(22-11-6-3-7-12-22)27(34)21-14-15-24-23(19-21)29-28(30-26(33)25-13-8-18-35-25)32(24)17-16-20-9-4-2-5-10-20;1-28(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)26-25(27-23(32)21-10-7-15-34-21)29(20)14-6-5-11-22(30)31;1-27(17-7-3-2-4-8-17)23(32)16-11-12-19-18(15-16)25-24(28(19)13-5-10-21(29)30)26-22(31)20-9-6-14-33-20;1-26(16-6-3-2-4-7-16)22(31)15-9-10-18-17(14-15)24-23(27(18)12-11-20(28)29)25-21(30)19-8-5-13-32-19;1-26(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)24-23(27(19)12-6-13-28)25-21(29)20-9-5-14-31-20/h2,4-5,8-10,13-15,18-19,22H,3,6-7,11-12,16-17H2,1H3,(H,29,30,33);7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H,30,31)(H,26,27,32);6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3,(H,29,30)(H,25,26,31);5,8-10,13-14,16H,2-4,6-7,11-12H2,1H3,(H,28,29)(H,24,25,30);5,9-11,14-15,17,28H,2-4,6-8,12-13H2,1H3,(H,24,25,29)
InChIKeyLDTFXNCWRGNLKZ-UHFFFAOYSA-N
XLogP23.99
TPSA468.28 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds38
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002332.95
LogP ≤ 523.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10160476
6-[5-[Cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid
CID 10117609
Methyl 5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoate
CID 10117610
3-[5-[Cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid
CID 10161329
N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
CID 10161344
5-[5-[Cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid
CID 10162991
4-{5-(cyclohexyl-methyl-carbamoyl)-2-[(thiophene-2-carbonyl)-amino]-benzimidazol-1-yl}-butyric Acid
CID 10195437
N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
CID 10217275
4-{5-(Cyclohexyl-methyl-carbamoyl)-2-[(thiophene-2-carbonyl)-amino]-benzimidazol-1-yl}-butyric acid ethyl ester
CID 10228566
N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
CID 142243713
1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
CID 142243737
N-cyclohexyl-1-[3-(dimethylamino)-3-hydroxypropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
CID 142243777

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 159320927) is N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(=O)O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(=O)O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(=O)O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCO)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is LDTFXNCWRGNLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2S.C25H30N4O4S.C24H28N4O4S.C23H26N4O4S.C23H28N4O3S/c1-31(22-11-6-3-7-12-22)27(34)21-14-15-24-23(19-21)29-28(30-26(33)25-13-8-18-35-25)32(24)17-16-20-9-4-2-5-10-20;1-28(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)26-25(27-23(32)21-10-7-15-34-21)29(20)14-6-5-11-22(30)31;1-27(17-7-3-2-4-8-17)23(32)16-11-12-19-18(15-16)25-24(28(19)13-5-10-21(29)30)26-22(31)20-9-6-14-33-20;1-26(16-6-3-2-4-7-16)22(31)15-9-10-18-17(14-15)24-23(27(18)12-11-20(28)29)25-21(30)19-8-5-13-32-19;1-26(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)24-23(27(19)12-6-13-28)25-21(29)20-9-5-14-31-20/h2,4-5,8-10,13-15,18-19,22H,3,6-7,11-12,16-17H2,1H3,(H,29,30,33);7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H,30,31)(H,26,27,32);6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3,(H,29,30)(H,25,26,31);5,8-10,13-14,16H,2-4,6-7,11-12H2,1H3,(H,28,29)(H,24,25,30);5,9-11,14-15,17,28H,2-4,6-8,12-13H2,1H3,(H,24,25,29).
What are the key properties of N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 2332.95 g/mol, XLogP of 23.99, 38 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid;5-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]pentanoic acid;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propanoic acid;N-cyclohexyl-N-methyl-1-(2-phenylethyl)-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 159320927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).