6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole

C16H15BrN2O2 — CID 104574626

IUPAC6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
SMILESCOc1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1OC
InChIInChI=1S/C16H15BrN2O2/c1-9-6-11(17)8-12-15(9)19-16(18-12)10-4-5-13(20-2)14(7-10)21-3/h4-8H,1-3H3,(H,18,19)
InChIKeySVGNXNQVVOQKPD-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.32
Rot. Bonds3

About 6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole

6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole (PubChem CID 104574626) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
PubChem CID104574626
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
SMILESCOc1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1OC
InChIInChI=1S/C16H15BrN2O2/c1-9-6-11(17)8-12-15(9)19-16(18-12)10-4-5-13(20-2)14(7-10)21-3/h4-8H,1-3H3,(H,18,19)
InChIKeySVGNXNQVVOQKPD-UHFFFAOYSA-N
XLogP4.32
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503
6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol
CID 136727868
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 104574243
6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
CID 64723120
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
CID 136727863
6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 104574515

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole (CID 104574626) is 6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole is COc1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1OC.
What is the InChIKey of 6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole?
The InChIKey is SVGNXNQVVOQKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-9-6-11(17)8-12-15(9)19-16(18-12)10-4-5-13(20-2)14(7-10)21-3/h4-8H,1-3H3,(H,18,19).
What are the key properties of 6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole?
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole has a molecular weight of 347.21 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 104574626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).