3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one

C20H26N4O2 — CID 119638825

IUPAC3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
SMILESO=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCC2CCC(C1)N2
InChIInChI=1S/C20H26N4O2/c25-19(23-10-9-14-6-7-15(12-23)21-14)13-5-8-18-17(11-13)22-20(26)24(18)16-3-1-2-4-16/h5,8,11,14-16,21H,1-4,6-7,9-10,12H2,(H,22,26)
InChIKeyOIDMCKBFUCSDHR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.41
Rot. Bonds2

About 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one

3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one (PubChem CID 119638825) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
PubChem CID119638825
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
SMILESO=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCC2CCC(C1)N2
InChIInChI=1S/C20H26N4O2/c25-19(23-10-9-14-6-7-15(12-23)21-14)13-5-8-18-17(11-13)22-20(26)24(18)16-3-1-2-4-16/h5,8,11,14-16,21H,1-4,6-7,9-10,12H2,(H,22,26)
InChIKeyOIDMCKBFUCSDHR-UHFFFAOYSA-N
XLogP2.41
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one 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

6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
CID 119520393
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 119398391
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 120747294
3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139001632
1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 136552219
3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139012625
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-fluoro-3-methylphenyl)methanone
CID 99596896
1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one (CID 119638825) is 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one is O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCC2CCC(C1)N2.
What is the InChIKey of 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one?
The InChIKey is OIDMCKBFUCSDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19(23-10-9-14-6-7-15(12-23)21-14)13-5-8-18-17(11-13)22-20(26)24(18)16-3-1-2-4-16/h5,8,11,14-16,21H,1-4,6-7,9-10,12H2,(H,22,26).
What are the key properties of 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one?
3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 119638825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).