2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol

C16H16N2O — CID 81431206

IUPAC2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol
SMILESCc1cc(C)c(-c2nc3ccc(O)cc3[nH]2)c(C)c1
InChIInChI=1S/C16H16N2O/c1-9-6-10(2)15(11(3)7-9)16-17-13-5-4-12(19)8-14(13)18-16/h4-8,19H,1-3H3,(H,17,18)
InChIKeyMRMCAGWRPNRHSW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.86
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol

2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol (PubChem CID 81431206) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol
PubChem CID81431206
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol
SMILESCc1cc(C)c(-c2nc3ccc(O)cc3[nH]2)c(C)c1
InChIInChI=1S/C16H16N2O/c1-9-6-10(2)15(11(3)7-9)16-17-13-5-4-12(19)8-14(13)18-16/h4-8,19H,1-3H3,(H,17,18)
InChIKeyMRMCAGWRPNRHSW-UHFFFAOYSA-N
XLogP3.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol
CID 81432836
2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol
CID 82815117
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484
2-(2-fluoro-6-hydroxyphenyl)-3H-benzimidazol-5-ol
CID 136959757
2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
CID 82829837
2-(2-methylfuran-3-yl)-3H-benzimidazol-5-ol
CID 81432681
5-bromo-6-fluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 79631045
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903792
2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol
CID 167259464
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol (CID 81431206) is 2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol is Cc1cc(C)c(-c2nc3ccc(O)cc3[nH]2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol?
The InChIKey is MRMCAGWRPNRHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-9-6-10(2)15(11(3)7-9)16-17-13-5-4-12(19)8-14(13)18-16/h4-8,19H,1-3H3,(H,17,18).
What are the key properties of 2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol?
2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol has a molecular weight of 252.32 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81431206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).