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

C15H11Br2ClN2 — CID 65344902

IUPAC6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
SMILESCc1ccc(Br)cc1-n1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H11Br2ClN2/c1-9-2-3-10(16)6-13(9)20-14-7-11(17)4-5-12(14)19-15(20)8-18/h2-7H,8H2,1H3
InChIKeyAHPGRFBNFPRQQN-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.60
Rot. Bonds2

About 6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole

6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole (PubChem CID 65344902) has the molecular formula C15H11Br2ClN2 and a molecular weight of 414.53 g/mol. Its IUPAC name is 6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
PubChem CID65344902
Molecular FormulaC15H11Br2ClN2
Molecular Weight414.53 g/mol
Exact Mass411.90
IUPAC Name6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
SMILESCc1ccc(Br)cc1-n1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H11Br2ClN2/c1-9-2-3-10(16)6-13(9)20-14-7-11(17)4-5-12(14)19-15(20)8-18/h2-7H,8H2,1H3
InChIKeyAHPGRFBNFPRQQN-UHFFFAOYSA-N
XLogP5.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.60
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

6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 107593137
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
1-(5-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluoro-6-methylbenzimidazole
CID 103593684
6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
CID 65344743
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081437
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841
6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole
CID 65344978
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)-6-methylbenzimidazole
CID 107593132

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole?
The IUPAC name of 6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole (CID 65344902) is 6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole?
The canonical SMILES for 6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole is Cc1ccc(Br)cc1-n1c(CCl)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole?
The InChIKey is AHPGRFBNFPRQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClN2/c1-9-2-3-10(16)6-13(9)20-14-7-11(17)4-5-12(14)19-15(20)8-18/h2-7H,8H2,1H3.
What are the key properties of 6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole?
6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole has a molecular weight of 414.53 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 65344902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).