2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole

C13H15ClN2 — CID 43533654

IUPAC2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole
SMILESCC(C1CC1)n1c(CCl)nc2ccccc21
InChIInChI=1S/C13H15ClN2/c1-9(10-6-7-10)16-12-5-3-2-4-11(12)15-13(16)8-14/h2-5,9-10H,6-8H2,1H3
InChIKeyFUAHJJLPVKFGRA-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.75
Rot. Bonds3

About 2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole

2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole (PubChem CID 43533654) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole
PubChem CID43533654
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole
SMILESCC(C1CC1)n1c(CCl)nc2ccccc21
InChIInChI=1S/C13H15ClN2/c1-9(10-6-7-10)16-12-5-3-2-4-11(12)15-13(16)8-14/h2-5,9-10H,6-8H2,1H3
InChIKeyFUAHJJLPVKFGRA-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
CID 55222184
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
CID 55031992
2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole
CID 114041872
2-(chloromethyl)-1-(1-cyclopropylethyl)-5-fluoro-6-methoxybenzimidazole
CID 63597568
2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667620
2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide
CID 61467796
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole
CID 43666180
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
6-bromo-2-(chloromethyl)-1-(1-cyclobutylethyl)-5-fluorobenzimidazole
CID 116739419
6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole
CID 116739029
6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 65346411
7-chloro-2-(chloromethyl)-1-(1-cyclobutylethyl)imidazo[4,5-c]pyridine
CID 114286257

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole (CID 43533654) is 2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole is CC(C1CC1)n1c(CCl)nc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole?
The InChIKey is FUAHJJLPVKFGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-9(10-6-7-10)16-12-5-3-2-4-11(12)15-13(16)8-14/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole?
2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole has a molecular weight of 234.73 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole is sourced from PubChem (CID 43533654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).