6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide

C24H34N4O3 — CID 45189679

IUPAC6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc(C3CCCO3)n(C)c12
InChIInChI=1S/C24H34N4O3/c1-15(2)14-25-24(30)18-12-17(26-21(29)11-16-7-4-5-8-16)13-19-22(18)28(3)23(27-19)20-9-6-10-31-20/h12-13,15-16,20H,4-11,14H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyILAYWFWKRFSYFH-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.33
Rot. Bonds7

About 6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide

6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide (PubChem CID 45189679) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide
PubChem CID45189679
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc(C3CCCO3)n(C)c12
InChIInChI=1S/C24H34N4O3/c1-15(2)14-25-24(30)18-12-17(26-21(29)11-16-7-4-5-8-16)13-19-22(18)28(3)23(27-19)20-9-6-10-31-20/h12-13,15-16,20H,4-11,14H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyILAYWFWKRFSYFH-UHFFFAOYSA-N
XLogP4.33
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
CID 42170054
6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide
CID 45191558
2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide
CID 29029403
2-benzyl-N-ethyl-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(propanoylamino)benzimidazole-4-carboxamide
CID 42164981
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide
CID 53137977
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-cyclobutyl-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 42276148
2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide
CID 26277075
2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 45198971
dimethyl 5-[(2-cyclohexylacetyl)amino]benzene-1,3-dicarboxylate
CID 46798654
2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide
CID 42170060
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide?
The IUPAC name of 6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide (CID 45189679) is 6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide.
What is the SMILES notation for 6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide?
The canonical SMILES for 6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide is CC(C)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc(C3CCCO3)n(C)c12.
What is the InChIKey of 6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide?
The InChIKey is ILAYWFWKRFSYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-15(2)14-25-24(30)18-12-17(26-21(29)11-16-7-4-5-8-16)13-19-22(18)28(3)23(27-19)20-9-6-10-31-20/h12-13,15-16,20H,4-11,14H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide?
6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide is sourced from PubChem (CID 45189679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).