2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole

C15H19ClN2 — CID 114041872

IUPAC2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole
SMILESCc1cccc2c1nc(CCl)n2C(C)C1CCC1
InChIInChI=1S/C15H19ClN2/c1-10-5-3-8-13-15(10)17-14(9-16)18(13)11(2)12-6-4-7-12/h3,5,8,11-12H,4,6-7,9H2,1-2H3
InChIKeyFIKYOSPSGGWISR-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.44
Rot. Bonds3

About 2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole

2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole (PubChem CID 114041872) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole
PubChem CID114041872
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole
SMILESCc1cccc2c1nc(CCl)n2C(C)C1CCC1
InChIInChI=1S/C15H19ClN2/c1-10-5-3-8-13-15(10)17-14(9-16)18(13)11(2)12-6-4-7-12/h3,5,8,11-12H,4,6-7,9H2,1-2H3
InChIKeyFIKYOSPSGGWISR-UHFFFAOYSA-N
XLogP4.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole (CID 114041872) is 2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole is Cc1cccc2c1nc(CCl)n2C(C)C1CCC1.
What is the InChIKey of 2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole?
The InChIKey is FIKYOSPSGGWISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-10-5-3-8-13-15(10)17-14(9-16)18(13)11(2)12-6-4-7-12/h3,5,8,11-12H,4,6-7,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole?
2-(chloromethyl)-1-(1-cyclobutylethyl)-4-methylbenzimidazole has a molecular weight of 262.78 g/mol, XLogP of 4.44, 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-cyclobutylethyl)-4-methylbenzimidazole is sourced from PubChem (CID 114041872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).