1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one

C15H18N2O — CID 82497253

IUPAC1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2nc(C3CCCC3)[nH]c2c1
InChIInChI=1S/C15H18N2O/c1-2-14(18)11-7-8-12-13(9-11)17-15(16-12)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyCZCXUCXDZILLEA-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.81
Rot. Bonds3

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

1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one (PubChem CID 82497253) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
PubChem CID82497253
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2nc(C3CCCC3)[nH]c2c1
InChIInChI=1S/C15H18N2O/c1-2-14(18)11-7-8-12-13(9-11)17-15(16-12)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyCZCXUCXDZILLEA-UHFFFAOYSA-N
XLogP3.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone
CID 82052807
4-(2-cyclopropyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052773
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052784
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 82052786
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82497477
N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide
CID 72793866
4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide
CID 25101001

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one?
The IUPAC name of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one (CID 82497253) is 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one is CCC(=O)c1ccc2nc(C3CCCC3)[nH]c2c1.
What is the InChIKey of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one?
The InChIKey is CZCXUCXDZILLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-14(18)11-7-8-12-13(9-11)17-15(16-12)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one?
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.81, 3 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)propan-1-one is sourced from PubChem (CID 82497253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).