2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole

C16H15ClN2 — CID 29075929

IUPAC2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole
SMILESCc1ccc(-n2c(CCl)nc3ccccc32)cc1C
InChIInChI=1S/C16H15ClN2/c1-11-7-8-13(9-12(11)2)19-15-6-4-3-5-14(15)18-16(19)10-17/h3-9H,10H2,1-2H3
InChIKeyJRBKRNIBAQVZCH-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.38
Rot. Bonds2

About 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole

2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole (PubChem CID 29075929) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole
PubChem CID29075929
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole
SMILESCc1ccc(-n2c(CCl)nc3ccccc32)cc1C
InChIInChI=1S/C16H15ClN2/c1-11-7-8-13(9-12(11)2)19-15-6-4-3-5-14(15)18-16(19)10-17/h3-9H,10H2,1-2H3
InChIKeyJRBKRNIBAQVZCH-UHFFFAOYSA-N
XLogP4.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 29075973
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048
2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
CID 53407605
1-(4-bromo-2,6-dimethylphenyl)-2-(chloromethyl)benzimidazole
CID 65498853
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
CID 66253533
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
CID 82766784
2-(chloromethyl)-3-(4-fluoro-3-methylphenyl)quinazolin-4-one
CID 62812753
2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
CID 63640861
2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole
CID 66093447
2-(chloromethyl)-1-(2-iodophenyl)benzimidazole
CID 29075912
2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79290101

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole (CID 29075929) is 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole is Cc1ccc(-n2c(CCl)nc3ccccc32)cc1C.
What is the InChIKey of 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole?
The InChIKey is JRBKRNIBAQVZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-7-8-13(9-12(11)2)19-15-6-4-3-5-14(15)18-16(19)10-17/h3-9H,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole?
2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole has a molecular weight of 270.76 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole is sourced from PubChem (CID 29075929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).