4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole

C15H12BrClN2O — CID 91686479

IUPAC4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1cc(Br)c2nc(-c3ccc(C)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H12BrClN2O/c1-8-3-4-9(5-12(8)17)15-18-13-7-10(20-2)6-11(16)14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyAMMWVPQTPOTSCK-UHFFFAOYSA-N
MW351.63 g/mol
LogP4.96
Rot. Bonds2

About 4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole

4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole (PubChem CID 91686479) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole
PubChem CID91686479
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1cc(Br)c2nc(-c3ccc(C)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H12BrClN2O/c1-8-3-4-9(5-12(8)17)15-18-13-7-10(20-2)6-11(16)14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyAMMWVPQTPOTSCK-UHFFFAOYSA-N
XLogP4.96
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 58065677
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole
CID 91686527
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 91686806
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106520374
4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole
CID 91686434
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626
2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82942404
6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
CID 91686337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole (CID 91686479) is 4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole is COc1cc(Br)c2nc(-c3ccc(C)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole?
The InChIKey is AMMWVPQTPOTSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c1-8-3-4-9(5-12(8)17)15-18-13-7-10(20-2)6-11(16)14(13)19-15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole?
4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole has a molecular weight of 351.63 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 91686479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).