5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide

C13H16N4O2 — CID 110748262

IUPAC5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide
SMILESNc1ccc2c(c1)[nH]c(=O)n2C(=O)NC1CCCC1
InChIInChI=1S/C13H16N4O2/c14-8-5-6-11-10(7-8)16-13(19)17(11)12(18)15-9-3-1-2-4-9/h5-7,9H,1-4,14H2,(H,15,18)(H,16,19)
InChIKeyHFZYSIJZISZUHR-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.41
Rot. Bonds1

About 5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide

5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide (PubChem CID 110748262) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide
PubChem CID110748262
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide
SMILESNc1ccc2c(c1)[nH]c(=O)n2C(=O)NC1CCCC1
InChIInChI=1S/C13H16N4O2/c14-8-5-6-11-10(7-8)16-13(19)17(11)12(18)15-9-3-1-2-4-9/h5-7,9H,1-4,14H2,(H,15,18)(H,16,19)
InChIKeyHFZYSIJZISZUHR-UHFFFAOYSA-N
XLogP1.41
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 110874386
5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
CID 110874385
6-amino-3-(cyclopropanecarbonyl)-1H-benzimidazol-2-one
CID 110723889
6-amino-3-(5-oxopyrrolidine-2-carbonyl)-1H-benzimidazol-2-one
CID 110743833
5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one
CID 110723904
6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one
CID 110867639
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
6-amino-3-[2-(2-chlorophenyl)acetyl]-1H-benzimidazol-2-one
CID 110724060
6-amino-3-methyl-1H-benzimidazol-2-one
CID 15508437
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentylacetamide
CID 43447858
(2R)-2-[(6-amino-1-methyl-2-oxoquinolin-4-yl)amino]-N-cyclopentylpropanamide
CID 156571031
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide
CID 14762870

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide?
The IUPAC name of 5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide (CID 110748262) is 5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide?
The canonical SMILES for 5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide is Nc1ccc2c(c1)[nH]c(=O)n2C(=O)NC1CCCC1.
What is the InChIKey of 5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide?
The InChIKey is HFZYSIJZISZUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-8-5-6-11-10(7-8)16-13(19)17(11)12(18)15-9-3-1-2-4-9/h5-7,9H,1-4,14H2,(H,15,18)(H,16,19).
What are the key properties of 5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide?
5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 110748262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).