1-methyl-2-(3-methylphenyl)imidazole-4,5-diol

C11H12N2O2 — CID 70622359

IUPAC1-methyl-2-(3-methylphenyl)imidazole-4,5-diol
SMILESCc1cccc(-c2nc(O)c(O)n2C)c1
InChIInChI=1S/C11H12N2O2/c1-7-4-3-5-8(6-7)9-12-10(14)11(15)13(9)2/h3-6,14-15H,1-2H3
InChIKeyVLLSVWRQOOBGHX-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.81
Rot. Bonds1

About 1-methyl-2-(3-methylphenyl)imidazole-4,5-diol

1-methyl-2-(3-methylphenyl)imidazole-4,5-diol (PubChem CID 70622359) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-methyl-2-(3-methylphenyl)imidazole-4,5-diol.

Molecular Properties

Compound Name1-methyl-2-(3-methylphenyl)imidazole-4,5-diol
PubChem CID70622359
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-methyl-2-(3-methylphenyl)imidazole-4,5-diol
SMILESCc1cccc(-c2nc(O)c(O)n2C)c1
InChIInChI=1S/C11H12N2O2/c1-7-4-3-5-8(6-7)9-12-10(14)11(15)13(9)2/h3-6,14-15H,1-2H3
InChIKeyVLLSVWRQOOBGHX-UHFFFAOYSA-N
XLogP1.81
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
4-(3-methylphenyl)benzene-1,2-diol
CID 101298846
2-(3-methylphenyl)phenol
CID 11206198
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione
CID 88910936
2-(3-methylphenyl)-1,3-thiazole-4,5-diol
CID 174799020
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 84707601
4-bromo-1-methyl-2-(3-methylphenyl)imidazole
CID 30032990
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylphenyl)imidazole-4,5-diol?
The IUPAC name of 1-methyl-2-(3-methylphenyl)imidazole-4,5-diol (CID 70622359) is 1-methyl-2-(3-methylphenyl)imidazole-4,5-diol.
What is the SMILES notation for 1-methyl-2-(3-methylphenyl)imidazole-4,5-diol?
The canonical SMILES for 1-methyl-2-(3-methylphenyl)imidazole-4,5-diol is Cc1cccc(-c2nc(O)c(O)n2C)c1.
What is the InChIKey of 1-methyl-2-(3-methylphenyl)imidazole-4,5-diol?
The InChIKey is VLLSVWRQOOBGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-4-3-5-8(6-7)9-12-10(14)11(15)13(9)2/h3-6,14-15H,1-2H3.
What are the key properties of 1-methyl-2-(3-methylphenyl)imidazole-4,5-diol?
1-methyl-2-(3-methylphenyl)imidazole-4,5-diol has a molecular weight of 204.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylphenyl)imidazole-4,5-diol is sourced from PubChem (CID 70622359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).