2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole

C15H16ClF3N2 — CID 115502183

IUPAC2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(CCCl)n2C1CCCC1
InChIInChI=1S/C15H16ClF3N2/c16-8-7-14-20-12-9-10(15(17,18)19)5-6-13(12)21(14)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2
InChIKeyFGKFXNRCHJJPKD-UHFFFAOYSA-N
MW316.75 g/mol
LogP4.95
Rot. Bonds3

About 2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole

2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole (PubChem CID 115502183) has the molecular formula C15H16ClF3N2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
PubChem CID115502183
Molecular FormulaC15H16ClF3N2
Molecular Weight316.75 g/mol
Exact Mass316.10
IUPAC Name2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(CCCl)n2C1CCCC1
InChIInChI=1S/C15H16ClF3N2/c16-8-7-14-20-12-9-10(15(17,18)19)5-6-13(12)21(14)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2
InChIKeyFGKFXNRCHJJPKD-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzimidazole
CID 115502173
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
CID 79292911
2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile
CID 104715274
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
CID 118759082
2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole
CID 83018762
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole (CID 115502183) is 2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole is FC(F)(F)c1ccc2c(c1)nc(CCCl)n2C1CCCC1.
What is the InChIKey of 2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is FGKFXNRCHJJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2/c16-8-7-14-20-12-9-10(15(17,18)19)5-6-13(12)21(14)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole?
2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 316.75 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 115502183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).