N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide

C17H22N4O3 — CID 154865890

IUPACN-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
SMILESCC(C)n1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)cc21
InChIInChI=1S/C17H22N4O3/c1-9(2)21-14-8-11(4-6-13(14)20-17(21)24)16(23)19-12-5-3-10(7-12)15(18)22/h4,6,8-10,12H,3,5,7H2,1-2H3,(H2,18,22)(H,19,23)(H,20,24)/t10-,12+/m0/s1
InChIKeyXOBLRBTUNPYRJR-CMPLNLGQSA-N
MW330.39 g/mol
LogP1.29
Rot. Bonds4

About N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide

N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide (PubChem CID 154865890) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
PubChem CID154865890
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
SMILESCC(C)n1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)cc21
InChIInChI=1S/C17H22N4O3/c1-9(2)21-14-8-11(4-6-13(14)20-17(21)24)16(23)19-12-5-3-10(7-12)15(18)22/h4,6,8-10,12H,3,5,7H2,1-2H3,(H2,18,22)(H,19,23)(H,20,24)/t10-,12+/m0/s1
InChIKeyXOBLRBTUNPYRJR-CMPLNLGQSA-N
XLogP1.29
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-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

N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
CID 136587593
N-[(1R,3S)-3-carbamoylcyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 136583062
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 127642059
3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
3-(2-methylpentan-3-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784325
4-(1-amino-1-oxopropan-2-yl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82784459
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
3-[2-(cyclopropylamino)-2-oxoethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783974
2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 171688040
5-(2-amino-1-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 83896659
4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide
CID 62680438

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide (CID 154865890) is N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide is CC(C)n1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)cc21.
What is the InChIKey of N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
The InChIKey is XOBLRBTUNPYRJR-CMPLNLGQSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-9(2)21-14-8-11(4-6-13(14)20-17(21)24)16(23)19-12-5-3-10(7-12)15(18)22/h4,6,8-10,12H,3,5,7H2,1-2H3,(H2,18,22)(H,19,23)(H,20,24)/t10-,12+/m0/s1.
What are the key properties of N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 154865890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).