(4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol

C12H16N2O2 — CID 45093599

IUPAC(4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol
SMILESCc1cccc(C2=N[C@](C)(O)[C@](C)(O)N2)c1
InChIInChI=1S/C12H16N2O2/c1-8-5-4-6-9(7-8)10-13-11(2,15)12(3,16)14-10/h4-7,15-16H,1-3H3,(H,13,14)/t11-,12+
InChIKeyWWVQYEFTRYFNAJ-TXEJJXNPSA-N
MW220.27 g/mol
LogP0.76
Rot. Bonds1

About (4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol

(4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol (PubChem CID 45093599) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol.

Molecular Properties

Compound Name(4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol
PubChem CID45093599
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol
SMILESCc1cccc(C2=N[C@](C)(O)[C@](C)(O)N2)c1
InChIInChI=1S/C12H16N2O2/c1-8-5-4-6-9(7-8)10-13-11(2,15)12(3,16)14-10/h4-7,15-16H,1-3H3,(H,13,14)/t11-,12+
InChIKeyWWVQYEFTRYFNAJ-TXEJJXNPSA-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

5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole
CID 126536455
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4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
ethane;1-methyl-3-phenylbenzene
CID 142040878
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol
CID 117167817
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
1-[4-(3-methylphenyl)pyrimidin-2-yl]ethanone
CID 116901517

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol?
The IUPAC name of (4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol (CID 45093599) is (4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol.
What is the SMILES notation for (4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol?
The canonical SMILES for (4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol is Cc1cccc(C2=N[C@](C)(O)[C@](C)(O)N2)c1.
What is the InChIKey of (4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol?
The InChIKey is WWVQYEFTRYFNAJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-5-4-6-9(7-8)10-13-11(2,15)12(3,16)14-10/h4-7,15-16H,1-3H3,(H,13,14)/t11-,12+.
What are the key properties of (4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol?
(4R,5S)-4,5-dimethyl-2-(3-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 (4R,5S)-4,5-dimethyl-2-(3-methylphenyl)-1H-imidazole-4,5-diol is sourced from PubChem (CID 45093599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).