1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone

C14H16N2O — CID 82494798

IUPAC1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2nc(C3CCCC3)[nH]c2c1
InChIInChI=1S/C14H16N2O/c1-9(17)11-6-7-12-13(8-11)16-14(15-12)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyAOAYGISLTIGGBN-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.42
Rot. Bonds2

About 1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone

1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone (PubChem CID 82494798) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
PubChem CID82494798
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2nc(C3CCCC3)[nH]c2c1
InChIInChI=1S/C14H16N2O/c1-9(17)11-6-7-12-13(8-11)16-14(15-12)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyAOAYGISLTIGGBN-UHFFFAOYSA-N
XLogP3.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone
CID 82052807
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
4-(2-cyclopropyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052773
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 82052786
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052784

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone?
The IUPAC name of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone (CID 82494798) is 1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone is CC(=O)c1ccc2nc(C3CCCC3)[nH]c2c1.
What is the InChIKey of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone?
The InChIKey is AOAYGISLTIGGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9(17)11-6-7-12-13(8-11)16-14(15-12)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone?
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone has a molecular weight of 228.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 82494798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).