4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol

C12H16N2O2 — CID 45093598

IUPAC4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol
SMILESCc1ccccc1C1=NC(C)(O)C(C)(O)N1
InChIInChI=1S/C12H16N2O2/c1-8-6-4-5-7-9(8)10-13-11(2,15)12(3,16)14-10/h4-7,15-16H,1-3H3,(H,13,14)
InChIKeyWWRQVGBNUANBEY-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.76
Rot. Bonds1

About 4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol

4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol (PubChem CID 45093598) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol
PubChem CID45093598
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol
SMILESCc1ccccc1C1=NC(C)(O)C(C)(O)N1
InChIInChI=1S/C12H16N2O2/c1-8-6-4-5-7-9(8)10-13-11(2,15)12(3,16)14-10/h4-7,15-16H,1-3H3,(H,13,14)
InChIKeyWWRQVGBNUANBEY-UHFFFAOYSA-N
XLogP0.76
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol
CID 45093599
3-methylidene-5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole
CID 142891936
3-(2-methylphenyl)-4H-1,2,4-oxadiazin-5-one
CID 137175529
1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol
CID 84790978
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
1,2-xylene;tetrahydrobromide
CID 172843014
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene
CID 59649072
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
[4-(2-methylphenyl)-1H-pyrazol-5-yl]methanol
CID 105422819
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol?
The IUPAC name of 4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol (CID 45093598) is 4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol.
What is the SMILES notation for 4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol?
The canonical SMILES for 4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol is Cc1ccccc1C1=NC(C)(O)C(C)(O)N1.
What is the InChIKey of 4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol?
The InChIKey is WWRQVGBNUANBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-6-4-5-7-9(8)10-13-11(2,15)12(3,16)14-10/h4-7,15-16H,1-3H3,(H,13,14).
What are the key properties of 4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol?
4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol has a molecular weight of 220.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol is sourced from PubChem (CID 45093598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).