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

C15H13BrN2O2 — CID 136727868

IUPAC2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol
SMILESCOc1cccc(-c2nc3c(C)cc(Br)cc3[nH]2)c1O
InChIInChI=1S/C15H13BrN2O2/c1-8-6-9(16)7-11-13(8)18-15(17-11)10-4-3-5-12(20-2)14(10)19/h3-7,19H,1-2H3,(H,17,18)
InChIKeySFXSVEZEMJIWIC-UHFFFAOYSA-N
MW333.19 g/mol
LogP4.02
Rot. Bonds2

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

2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol (PubChem CID 136727868) 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)-6-methoxyphenol.

Molecular Properties

Compound Name2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol
PubChem CID136727868
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol
SMILESCOc1cccc(-c2nc3c(C)cc(Br)cc3[nH]2)c1O
InChIInChI=1S/C15H13BrN2O2/c1-8-6-9(16)7-11-13(8)18-15(17-11)10-4-3-5-12(20-2)14(10)19/h3-7,19H,1-2H3,(H,17,18)
InChIKeySFXSVEZEMJIWIC-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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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol?
The IUPAC name of 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol (CID 136727868) is 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol.
What is the SMILES notation for 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol?
The canonical SMILES for 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol is COc1cccc(-c2nc3c(C)cc(Br)cc3[nH]2)c1O.
What is the InChIKey of 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol?
The InChIKey is SFXSVEZEMJIWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-8-6-9(16)7-11-13(8)18-15(17-11)10-4-3-5-12(20-2)14(10)19/h3-7,19H,1-2H3,(H,17,18).
What are the key properties of 2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol?
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-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)-6-methoxyphenol is sourced from PubChem (CID 136727868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).