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

C15H13BrN2O — CID 136751466

IUPAC4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
SMILESCc1cc(-c2nc3c(C)cc(Br)cc3[nH]2)ccc1O
InChIInChI=1S/C15H13BrN2O/c1-8-5-10(3-4-13(8)19)15-17-12-7-11(16)6-9(2)14(12)18-15/h3-7,19H,1-2H3,(H,17,18)
InChIKeyNXLJDOGCJYFFNV-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.31
Rot. Bonds1

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

4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol (PubChem CID 136751466) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
PubChem CID136751466
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
SMILESCc1cc(-c2nc3c(C)cc(Br)cc3[nH]2)ccc1O
InChIInChI=1S/C15H13BrN2O/c1-8-5-10(3-4-13(8)19)15-17-12-7-11(16)6-9(2)14(12)18-15/h3-7,19H,1-2H3,(H,17,18)
InChIKeyNXLJDOGCJYFFNV-UHFFFAOYSA-N
XLogP4.31
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 104574243
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
CID 136727863
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
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
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

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol?
The IUPAC name of 4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol (CID 136751466) is 4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol.
What is the SMILES notation for 4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol?
The canonical SMILES for 4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol is Cc1cc(-c2nc3c(C)cc(Br)cc3[nH]2)ccc1O.
What is the InChIKey of 4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol?
The InChIKey is NXLJDOGCJYFFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-8-5-10(3-4-13(8)19)15-17-12-7-11(16)6-9(2)14(12)18-15/h3-7,19H,1-2H3,(H,17,18).
What are the key properties of 4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol?
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol has a molecular weight of 317.19 g/mol, XLogP of 4.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol is sourced from PubChem (CID 136751466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).