1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole

C15H12BrClN2 — CID 82766784

IUPAC1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
SMILESCc1ccc(Br)c(-n2c(CCl)nc3ccccc32)c1
InChIInChI=1S/C15H12BrClN2/c1-10-6-7-11(16)14(8-10)19-13-5-3-2-4-12(13)18-15(19)9-17/h2-8H,9H2,1H3
InChIKeyZFCVGFQAADMLKY-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.84
Rot. Bonds2

About 1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole

1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole (PubChem CID 82766784) has the molecular formula C15H12BrClN2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
PubChem CID82766784
Molecular FormulaC15H12BrClN2
Molecular Weight335.63 g/mol
Exact Mass333.99
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
SMILESCc1ccc(Br)c(-n2c(CCl)nc3ccccc32)c1
InChIInChI=1S/C15H12BrClN2/c1-10-6-7-11(16)14(8-10)19-13-5-3-2-4-12(13)18-15(19)9-17/h2-8H,9H2,1H3
InChIKeyZFCVGFQAADMLKY-UHFFFAOYSA-N
XLogP4.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.84
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-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 82766388
1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660921
1-(4-bromo-2,6-dimethylphenyl)-2-(chloromethyl)benzimidazole
CID 65498853
3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 82746394
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
CID 107601483
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)-6-methylbenzimidazole
CID 107593132
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline
CID 106760326
2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole
CID 43660844
2-(chloromethyl)-1-(2-iodophenyl)benzimidazole
CID 29075912
2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole
CID 29075929

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole (CID 82766784) is 1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole is Cc1ccc(Br)c(-n2c(CCl)nc3ccccc32)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole?
The InChIKey is ZFCVGFQAADMLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2/c1-10-6-7-11(16)14(8-10)19-13-5-3-2-4-12(13)18-15(19)9-17/h2-8H,9H2,1H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole?
1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole has a molecular weight of 335.63 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 82766784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).