2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole

C16H21ClN2 — CID 55222184

IUPAC2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
SMILESCC(C1CCCCC1)n1c(CCl)nc2ccccc21
InChIInChI=1S/C16H21ClN2/c1-12(13-7-3-2-4-8-13)19-15-10-6-5-9-14(15)18-16(19)11-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKeyGRJKSSPCWLSANP-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.92
Rot. Bonds3

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

2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole (PubChem CID 55222184) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
PubChem CID55222184
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
SMILESCC(C1CCCCC1)n1c(CCl)nc2ccccc21
InChIInChI=1S/C16H21ClN2/c1-12(13-7-3-2-4-8-13)19-15-10-6-5-9-14(15)18-16(19)11-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKeyGRJKSSPCWLSANP-UHFFFAOYSA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.92
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-cyclopropylethyl)benzimidazole
CID 43533654
2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole
CID 114041872
6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole
CID 116739029
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
CID 55031992
6-bromo-2-(chloromethyl)-1-(1-cyclobutylethyl)-5-fluorobenzimidazole
CID 116739419
2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667620
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
CID 79292816
7-chloro-2-(chloromethyl)-1-(1-cyclobutylethyl)imidazo[4,5-c]pyridine
CID 114286257
2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole
CID 63547042
2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide
CID 61467796
2-[1-[1-(1-cyclooctylethyl)piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine
CID 144722228

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole (CID 55222184) is 2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole is CC(C1CCCCC1)n1c(CCl)nc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole?
The InChIKey is GRJKSSPCWLSANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-12(13-7-3-2-4-8-13)19-15-10-6-5-9-14(15)18-16(19)11-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole?
2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole has a molecular weight of 276.81 g/mol, XLogP of 4.92, 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-cyclohexylethyl)benzimidazole is sourced from PubChem (CID 55222184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).