2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole

C13H15ClN2 — CID 62409588

IUPAC2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
SMILESCC1CC1n1c(CCCl)nc2ccccc21
InChIInChI=1S/C13H15ClN2/c1-9-8-12(9)16-11-5-3-2-4-10(11)15-13(16)6-7-14/h2-5,9,12H,6-8H2,1H3
InChIKeyVRYDAWFERGIXDA-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.40
Rot. Bonds3

About 2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole

2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole (PubChem CID 62409588) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
PubChem CID62409588
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
SMILESCC1CC1n1c(CCCl)nc2ccccc21
InChIInChI=1S/C13H15ClN2/c1-9-8-12(9)16-11-5-3-2-4-10(11)15-13(16)6-7-14/h2-5,9,12H,6-8H2,1H3
InChIKeyVRYDAWFERGIXDA-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.40
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-(4-methylcyclohexyl)benzimidazole
CID 43666622
2-(2-chloroethyl)-5,6-dimethoxy-1-(2-methylcyclopropyl)benzimidazole
CID 83008067
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
5-[2-(2-chloroethyl)benzimidazol-1-yl]piperidin-2-one
CID 63660901
2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
CID 64914844
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
CID 65344880
2-(2-chloroethyl)-1-(2,4-dimethylcyclohexyl)-4-fluorobenzimidazole
CID 63999171
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 115971173
2-(2-chloroethyl)-4-fluoro-1-(2-methylcyclohexyl)benzimidazole
CID 60788862
2-(2-chloroethyl)-5-iodo-1-(3-methylcyclobutyl)benzimidazole
CID 113467350
2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 63104681

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole (CID 62409588) is 2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole is CC1CC1n1c(CCCl)nc2ccccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole?
The InChIKey is VRYDAWFERGIXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-9-8-12(9)16-11-5-3-2-4-10(11)15-13(16)6-7-14/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole?
2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole has a molecular weight of 234.73 g/mol, XLogP of 3.40, 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-(2-methylcyclopropyl)benzimidazole is sourced from PubChem (CID 62409588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).