2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol

C13H16N2O — CID 155660193

IUPAC2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol
SMILESCCc1nc(-c2ccc(C)cc2O)[nH]c1C
InChIInChI=1S/C13H16N2O/c1-4-11-9(3)14-13(15-11)10-6-5-8(2)7-12(10)16/h5-7,16H,4H2,1-3H3,(H,14,15)
InChIKeyUWCGPWLNYAKLTA-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.96
Rot. Bonds2

About 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol

2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol (PubChem CID 155660193) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol.

Molecular Properties

Compound Name2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol
PubChem CID155660193
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol
SMILESCCc1nc(-c2ccc(C)cc2O)[nH]c1C
InChIInChI=1S/C13H16N2O/c1-4-11-9(3)14-13(15-11)10-6-5-8(2)7-12(10)16/h5-7,16H,4H2,1-3H3,(H,14,15)
InChIKeyUWCGPWLNYAKLTA-UHFFFAOYSA-N
XLogP2.96
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol?
The IUPAC name of 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol (CID 155660193) is 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol.
What is the SMILES notation for 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol?
The canonical SMILES for 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol is CCc1nc(-c2ccc(C)cc2O)[nH]c1C.
What is the InChIKey of 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol?
The InChIKey is UWCGPWLNYAKLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-11-9(3)14-13(15-11)10-6-5-8(2)7-12(10)16/h5-7,16H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol?
2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol has a molecular weight of 216.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol is sourced from PubChem (CID 155660193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).