2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole

C16H21ClN2 — CID 115553702

IUPAC2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCl)n(C3CCCC3(C)C)c12
InChIInChI=1S/C16H21ClN2/c1-11-6-4-7-12-15(11)19(14(10-17)18-12)13-8-5-9-16(13,2)3/h4,6-7,13H,5,8-10H2,1-3H3
InChIKeyDVDZLJDVTKYPSD-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.83
Rot. Bonds2

About 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole

2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole (PubChem CID 115553702) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole
PubChem CID115553702
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCl)n(C3CCCC3(C)C)c12
InChIInChI=1S/C16H21ClN2/c1-11-6-4-7-12-15(11)19(14(10-17)18-12)13-8-5-9-16(13,2)3/h4,6-7,13H,5,8-10H2,1-3H3
InChIKeyDVDZLJDVTKYPSD-UHFFFAOYSA-N
XLogP4.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.83
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

1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
CID 115552593
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 79871475
3-[2-(chloromethyl)-7-methylbenzimidazol-1-yl]thiane 1,1-dioxide
CID 115553525
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81135772
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole-4-carbonitrile
CID 104719821
2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 115552971
2-(chloromethyl)-1-(cyclopentylmethyl)-7-methylbenzimidazole
CID 115552982
6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870400
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870709
2-(chloromethyl)-7-methyl-1-[2-(oxan-2-yl)ethyl]benzimidazole
CID 106004974
2-(chloromethyl)-1-(2,2-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazole
CID 79870633
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
CID 79870114

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole (CID 115553702) is 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole is Cc1cccc2nc(CCl)n(C3CCCC3(C)C)c12.
What is the InChIKey of 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole?
The InChIKey is DVDZLJDVTKYPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-11-6-4-7-12-15(11)19(14(10-17)18-12)13-8-5-9-16(13,2)3/h4,6-7,13H,5,8-10H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole?
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole has a molecular weight of 276.81 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)-7-methylbenzimidazole is sourced from PubChem (CID 115553702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).