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

C25H33N5O3S — CID 142243737

IUPAC1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(N)O)C1CCCCC1
InChIInChI=1S/C25H33N5O3S/c1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31/h7,10,12-13,15-16,18,22,31H,2-6,8-9,11,14,26H2,1H3,(H,27,28,32)
InChIKeyBKJLDULNOKUUCI-UHFFFAOYSA-N
MW483.64 g/mol
LogP4.20
Rot. Bonds9

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

1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 142243737) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is 1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID142243737
Molecular FormulaC25H33N5O3S
Molecular Weight483.64 g/mol
Exact Mass483.23
IUPAC Name1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(N)O)C1CCCCC1
InChIInChI=1S/C25H33N5O3S/c1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31/h7,10,12-13,15-16,18,22,31H,2-6,8-9,11,14,26H2,1H3,(H,27,28,32)
InChIKeyBKJLDULNOKUUCI-UHFFFAOYSA-N
XLogP4.20
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
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-(2-oxo-1H-pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277617
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of 1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 142243737) is 1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(N)O)C1CCCCC1.
What is the InChIKey of 1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is BKJLDULNOKUUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31/h7,10,12-13,15-16,18,22,31H,2-6,8-9,11,14,26H2,1H3,(H,27,28,32).
What are the key properties of 1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 483.64 g/mol, XLogP of 4.20, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-5-hydroxypentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 142243737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).