2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile

C15H16ClN3 — CID 104715274

IUPAC2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(CCCl)n(C3CCCC3)c2c1
InChIInChI=1S/C15H16ClN3/c16-8-7-15-18-13-6-5-11(10-17)9-14(13)19(15)12-3-1-2-4-12/h5-6,9,12H,1-4,7-8H2
InChIKeyIPMOVVKCDLJVAR-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.80
Rot. Bonds3

About 2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile

2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile (PubChem CID 104715274) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile
PubChem CID104715274
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(CCCl)n(C3CCCC3)c2c1
InChIInChI=1S/C15H16ClN3/c16-8-7-15-18-13-6-5-11(10-17)9-14(13)19(15)12-3-1-2-4-12/h5-6,9,12H,1-4,7-8H2
InChIKeyIPMOVVKCDLJVAR-UHFFFAOYSA-N
XLogP3.80
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-5-carbonitrile
CID 106259224
2-(chloromethyl)-3-(3,5-dimethylcyclohexyl)benzimidazole-5-carbonitrile
CID 104715836
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)benzimidazole-5-carbonitrile
CID 104715900
2-(2-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715267
2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
CID 115502183
2-(chloromethyl)-3-(cyclobutylmethyl)benzimidazole-5-carbonitrile
CID 113444574
2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
CID 79292911
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
2-(2-chloroethyl)-3-(4-iodophenyl)benzimidazole-5-carbonitrile
CID 104715345
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile (CID 104715274) is 2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile is N#Cc1ccc2nc(CCCl)n(C3CCCC3)c2c1.
What is the InChIKey of 2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile?
The InChIKey is IPMOVVKCDLJVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c16-8-7-15-18-13-6-5-11(10-17)9-14(13)19(15)12-3-1-2-4-12/h5-6,9,12H,1-4,7-8H2.
What are the key properties of 2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile?
2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile has a molecular weight of 273.77 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104715274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).