2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol

C15H13BrN2O2 — CID 136727863

IUPAC2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2nc3c(C)cc(Br)cc3[nH]2)c1
InChIInChI=1S/C15H13BrN2O2/c1-8-5-9(16)6-12-14(8)18-15(17-12)11-7-10(20-2)3-4-13(11)19/h3-7,19H,1-2H3,(H,17,18)
InChIKeyQWIHLJZRUGFQFD-UHFFFAOYSA-N
MW333.19 g/mol
LogP4.02
Rot. Bonds2

About 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol

2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol (PubChem CID 136727863) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
PubChem CID136727863
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2nc3c(C)cc(Br)cc3[nH]2)c1
InChIInChI=1S/C15H13BrN2O2/c1-8-5-9(16)6-12-14(8)18-15(17-12)11-7-10(20-2)3-4-13(11)19/h3-7,19H,1-2H3,(H,17,18)
InChIKeyQWIHLJZRUGFQFD-UHFFFAOYSA-N
XLogP4.02
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82946953
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol
CID 136727868
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574371
6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 104574515
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445
2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol
CID 136885917
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol?
The IUPAC name of 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol (CID 136727863) is 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol.
What is the SMILES notation for 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol?
The canonical SMILES for 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol is COc1ccc(O)c(-c2nc3c(C)cc(Br)cc3[nH]2)c1.
What is the InChIKey of 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol?
The InChIKey is QWIHLJZRUGFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-8-5-9(16)6-12-14(8)18-15(17-12)11-7-10(20-2)3-4-13(11)19/h3-7,19H,1-2H3,(H,17,18).
What are the key properties of 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol?
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol has a molecular weight of 333.19 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol is sourced from PubChem (CID 136727863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).