4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol

C15H14N2O2 — CID 136903792

IUPAC4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESCc1cc2nc(-c3ccc(O)cc3O)[nH]c2cc1C
InChIInChI=1S/C15H14N2O2/c1-8-5-12-13(6-9(8)2)17-15(16-12)11-4-3-10(18)7-14(11)19/h3-7,18-19H,1-2H3,(H,16,17)
InChIKeyZUJGWAKEXODNLN-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.26
Rot. Bonds1

About 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol

4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol (PubChem CID 136903792) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
PubChem CID136903792
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
SMILESCc1cc2nc(-c3ccc(O)cc3O)[nH]c2cc1C
InChIInChI=1S/C15H14N2O2/c1-8-5-12-13(6-9(8)2)17-15(16-12)11-4-3-10(18)7-14(11)19/h3-7,18-19H,1-2H3,(H,16,17)
InChIKeyZUJGWAKEXODNLN-UHFFFAOYSA-N
XLogP3.26
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
CID 82829837
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185573
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-fluoroaniline
CID 107793624
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-[2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyphenyl]methyl]prop-2-enyl]phenol
CID 136762946
2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol
CID 81432836

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol (CID 136903792) is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol is Cc1cc2nc(-c3ccc(O)cc3O)[nH]c2cc1C.
What is the InChIKey of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol?
The InChIKey is ZUJGWAKEXODNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-8-5-12-13(6-9(8)2)17-15(16-12)11-4-3-10(18)7-14(11)19/h3-7,18-19H,1-2H3,(H,16,17).
What are the key properties of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol?
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol has a molecular weight of 254.29 g/mol, XLogP of 3.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 136903792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).