N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

C24H30N4O4S — CID 142243713

IUPACN-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(O)O)C1CCCCC1
InChIInChI=1S/C24H30N4O4S/c1-27(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/h6,9,11-12,14-15,17,21,29-30H,2-5,7-8,10,13H2,1H3,(H,25,26,31)
InChIKeyZDJVSOWLHFIBRU-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.85
Rot. Bonds8

About N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 142243713) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID142243713
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(O)O)C1CCCCC1
InChIInChI=1S/C24H30N4O4S/c1-27(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/h6,9,11-12,14-15,17,21,29-30H,2-5,7-8,10,13H2,1H3,(H,25,26,31)
InChIKeyZDJVSOWLHFIBRU-UHFFFAOYSA-N
XLogP3.85
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Prn-694
CID 90044055
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 25190510
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-acetylthiophene-2-carboxamide
CID 25190522
Cmf-019
CID 73442763
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, 8p
CID 25190559
2-Aminobenzimidazole with trans-stilbene, 8q
CID 25190560
2-Aminobenzimidazole with trans-stilbene, 9c
CID 25190566
potassium (3S)-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoate
CID 155529276

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 142243713) is N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(O)O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is ZDJVSOWLHFIBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-27(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/h6,9,11-12,14-15,17,21,29-30H,2-5,7-8,10,13H2,1H3,(H,25,26,31).
What are the key properties of N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4,4-dihydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 142243713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).