(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone

C17H20N2O — CID 82501905

IUPAC(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone
SMILESCn1c(C2CCCC2)nc2cc(C(=O)C3CC3)ccc21
InChIInChI=1S/C17H20N2O/c1-19-15-9-8-13(16(20)11-6-7-11)10-14(15)18-17(19)12-4-2-3-5-12/h8-12H,2-7H2,1H3
InChIKeyBWLNGWASPPHYPU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.82
Rot. Bonds3

About (2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone

(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone (PubChem CID 82501905) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone
PubChem CID82501905
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone
SMILESCn1c(C2CCCC2)nc2cc(C(=O)C3CC3)ccc21
InChIInChI=1S/C17H20N2O/c1-19-15-9-8-13(16(20)11-6-7-11)10-14(15)18-17(19)12-4-2-3-5-12/h8-12H,2-7H2,1H3
InChIKeyBWLNGWASPPHYPU-UHFFFAOYSA-N
XLogP3.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone
CID 96677034
(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
CID 65040386
N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide
CID 110766019
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
CID 82494804
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
CID 82497559
(E)-3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)prop-2-enoic acid
CID 82497233
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid
CID 82488604
4-(2-cyclopentyl-1-methylbenzimidazol-5-yl)butanenitrile
CID 82501811
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine
CID 82501979

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone?
The IUPAC name of (2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone (CID 82501905) is (2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone.
What is the SMILES notation for (2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone?
The canonical SMILES for (2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone is Cn1c(C2CCCC2)nc2cc(C(=O)C3CC3)ccc21.
What is the InChIKey of (2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone?
The InChIKey is BWLNGWASPPHYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19-15-9-8-13(16(20)11-6-7-11)10-14(15)18-17(19)12-4-2-3-5-12/h8-12H,2-7H2,1H3.
What are the key properties of (2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone?
(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone has a molecular weight of 268.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone is sourced from PubChem (CID 82501905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).