2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol

C14H11BrN2O — CID 81432484

IUPAC2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
SMILESCc1ccc(Br)cc1-c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C14H11BrN2O/c1-8-2-3-9(15)6-11(8)14-16-12-5-4-10(18)7-13(12)17-14/h2-7,18H,1H3,(H,16,17)
InChIKeyKSKQLRLVTSKJEL-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.01
Rot. Bonds1

About 2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol

2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol (PubChem CID 81432484) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
PubChem CID81432484
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
SMILESCc1ccc(Br)cc1-c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C14H11BrN2O/c1-8-2-3-9(15)6-11(8)14-16-12-5-4-10(18)7-13(12)17-14/h2-7,18H,1H3,(H,16,17)
InChIKeyKSKQLRLVTSKJEL-UHFFFAOYSA-N
XLogP4.01
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
CID 82829837
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol
CID 81432836
2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol
CID 81431206
2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol
CID 82815117
2-(2-methylfuran-3-yl)-3H-benzimidazol-5-ol
CID 81432681
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
CID 43629943
2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol
CID 167259464
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol (CID 81432484) is 2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol is Cc1ccc(Br)cc1-c1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol?
The InChIKey is KSKQLRLVTSKJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-8-2-3-9(15)6-11(8)14-16-12-5-4-10(18)7-13(12)17-14/h2-7,18H,1H3,(H,16,17).
What are the key properties of 2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol?
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol has a molecular weight of 303.16 g/mol, XLogP of 4.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).