6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid

C26H32N4O4S — CID 10117609

IUPAC6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCCC(=O)O)C1CCCCC1
InChIInChI=1S/C26H32N4O4S/c1-29(19-9-4-2-5-10-19)25(34)18-13-14-21-20(17-18)27-26(28-24(33)22-11-8-16-35-22)30(21)15-7-3-6-12-23(31)32/h8,11,13-14,16-17,19H,2-7,9-10,12,15H2,1H3,(H,31,32)(H,27,28,33)
InChIKeyUPWYVCRMXJLUTR-UHFFFAOYSA-N
MW496.63 g/mol
LogP5.40
Rot. Bonds10

About 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid

6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid (PubChem CID 10117609) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid.

Molecular Properties

Compound Name6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid
PubChem CID10117609
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCCC(=O)O)C1CCCCC1
InChIInChI=1S/C26H32N4O4S/c1-29(19-9-4-2-5-10-19)25(34)18-13-14-21-20(17-18)27-26(28-24(33)22-11-8-16-35-22)30(21)15-7-3-6-12-23(31)32/h8,11,13-14,16-17,19H,2-7,9-10,12,15H2,1H3,(H,31,32)(H,27,28,33)
InChIKeyUPWYVCRMXJLUTR-UHFFFAOYSA-N
XLogP5.40
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[5-[cyclohexyl(methyl)carbamoyl]-2-[(2-hydroxybenzoyl)amino]benzimidazol-1-yl]butanoic acid;thiophene
CID 174476872
2-[(4-chlorobenzoyl)amino]-N-cyclohexyl-N-methyl-1-(3-oxobutyl)benzimidazole-5-carboxamide
CID 59083099
N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 58742868
N-cyclohexyl-2-[(3,4-dimethylbenzoyl)amino]-N-methyl-1-(3-oxopropyl)benzimidazole-5-carboxamide
CID 142243763
2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide
CID 59083098
[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium
CID 59083093
2-benzamido-N-cyclohexyl-1-(3-oxobutyl)-N-prop-2-enylbenzimidazole-5-carboxamide
CID 59083118
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide
CID 91611996
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
N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 58646263
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-4-carboxamide
CID 44588740

Frequently Asked Questions

What is the IUPAC name of 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid?
The IUPAC name of 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid (CID 10117609) is 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid.
What is the SMILES notation for 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid?
The canonical SMILES for 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCCC(=O)O)C1CCCCC1.
What is the InChIKey of 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid?
The InChIKey is UPWYVCRMXJLUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-29(19-9-4-2-5-10-19)25(34)18-13-14-21-20(17-18)27-26(28-24(33)22-11-8-16-35-22)30(21)15-7-3-6-12-23(31)32/h8,11,13-14,16-17,19H,2-7,9-10,12,15H2,1H3,(H,31,32)(H,27,28,33).
What are the key properties of 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid?
6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid has a molecular weight of 496.63 g/mol, XLogP of 5.40, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid is sourced from PubChem (CID 10117609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).