2-(chloromethyl)-1-cyclobutylbenzimidazole

C12H13ClN2 — CID 62416767

IUPAC2-(chloromethyl)-1-cyclobutylbenzimidazole
SMILESClCc1nc2ccccc2n1C1CCC1
InChIInChI=1S/C12H13ClN2/c13-8-12-14-10-6-1-2-7-11(10)15(12)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2
InChIKeyAECLEJPRBWXEKQ-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.50
Rot. Bonds2

About 2-(chloromethyl)-1-cyclobutylbenzimidazole

2-(chloromethyl)-1-cyclobutylbenzimidazole (PubChem CID 62416767) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-(chloromethyl)-1-cyclobutylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-cyclobutylbenzimidazole
PubChem CID62416767
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name2-(chloromethyl)-1-cyclobutylbenzimidazole
SMILESClCc1nc2ccccc2n1C1CCC1
InChIInChI=1S/C12H13ClN2/c13-8-12-14-10-6-1-2-7-11(10)15(12)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2
InChIKeyAECLEJPRBWXEKQ-UHFFFAOYSA-N
XLogP3.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.50
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-(1-benzylpiperidin-3-yl)-2-(chloromethyl)benzimidazole
CID 71646521
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole
CID 43666622
5-[2-(chloromethyl)benzimidazol-1-yl]piperidin-2-one
CID 63661964
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
CID 64914844

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-cyclobutylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-cyclobutylbenzimidazole (CID 62416767) is 2-(chloromethyl)-1-cyclobutylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-cyclobutylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-cyclobutylbenzimidazole is ClCc1nc2ccccc2n1C1CCC1.
What is the InChIKey of 2-(chloromethyl)-1-cyclobutylbenzimidazole?
The InChIKey is AECLEJPRBWXEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-8-12-14-10-6-1-2-7-11(10)15(12)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2.
What are the key properties of 2-(chloromethyl)-1-cyclobutylbenzimidazole?
2-(chloromethyl)-1-cyclobutylbenzimidazole has a molecular weight of 220.70 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-cyclobutylbenzimidazole is sourced from PubChem (CID 62416767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).