N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

C25H32N4O3S — CID 10217275

IUPACN-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCCO)C1CCCCC1
InChIInChI=1S/C25H32N4O3S/c1-28(19-9-4-2-5-10-19)24(32)18-12-13-21-20(17-18)26-25(29(21)14-6-3-7-15-30)27-23(31)22-11-8-16-33-22/h8,11-13,16-17,19,30H,2-7,9-10,14-15H2,1H3,(H,26,27,31)
InChIKeyNVXUMCIXZKVIJC-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.92
Rot. Bonds9

About N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 10217275) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID10217275
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC NameN-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCCO)C1CCCCC1
InChIInChI=1S/C25H32N4O3S/c1-28(19-9-4-2-5-10-19)24(32)18-12-13-21-20(17-18)26-25(29(21)14-6-3-7-15-30)27-23(31)22-11-8-16-33-22/h8,11-13,16-17,19,30H,2-7,9-10,14-15H2,1H3,(H,26,27,31)
InChIKeyNVXUMCIXZKVIJC-UHFFFAOYSA-N
XLogP4.92
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide 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

Prn-694
CID 90044055
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 25190510
Cmf-019
CID 73442763
5-(difluoromethyl)-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277578
5-(difluoromethyl)-N-[5-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277748
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]thiophene-3-carboxamide
CID 25190511
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-formylthiophene-2-carboxamide
CID 25190521
2-Aminobenzimidazole with trans-stilbene, 8b
CID 25190545
2-Aminobenzimidazole with trans-stilbene, 8f
CID 25190548
2-Aminobenzimidazole with trans-stilbene, 8p
CID 25190559
2-Aminobenzimidazole with trans-stilbene, 8q
CID 25190560
2-Aminobenzimidazole with trans-stilbene, 9c
CID 25190566

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 10217275) is N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is NVXUMCIXZKVIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-28(19-9-4-2-5-10-19)24(32)18-12-13-21-20(17-18)26-25(29(21)14-6-3-7-15-30)27-23(31)22-11-8-16-33-22/h8,11-13,16-17,19,30H,2-7,9-10,14-15H2,1H3,(H,26,27,31).
What are the key properties of N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 468.62 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(5-hydroxypentyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 10217275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).