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

C15H13BrN2O — CID 64723120

IUPAC6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1C
InChIInChI=1S/C15H13BrN2O/c1-9-3-4-10(7-14(9)19-2)15-17-12-6-5-11(16)8-13(12)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyJLHMRPCERPKXIZ-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.31
Rot. Bonds2

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

6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole (PubChem CID 64723120) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
PubChem CID64723120
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1C
InChIInChI=1S/C15H13BrN2O/c1-9-3-4-10(7-14(9)19-2)15-17-12-6-5-11(16)8-13(12)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyJLHMRPCERPKXIZ-UHFFFAOYSA-N
XLogP4.31
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004525
6-bromo-2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-1H-benzimidazole
CID 103597099
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
2-(5-bromo-2-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83950843
4-(6-bromo-1H-benzimidazol-2-yl)-3-methoxyaniline
CID 107209077
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol
CID 140987224
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole (CID 64723120) is 6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole is COc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1C.
What is the InChIKey of 6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole?
The InChIKey is JLHMRPCERPKXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-9-3-4-10(7-14(9)19-2)15-17-12-6-5-11(16)8-13(12)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole?
6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole has a molecular weight of 317.19 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 64723120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).