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

C10H10N2O — CID 58294080

IUPAC2-(1H-imidazol-5-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2cnc[nH]2)c1
InChIInChI=1S/C10H10N2O/c1-7-2-3-10(13)8(4-7)9-5-11-6-12-9/h2-6,13H,1H3,(H,11,12)
InChIKeyQCQWMLZTPVTBGR-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.09
Rot. Bonds1

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

2-(1H-imidazol-5-yl)-4-methylphenol (PubChem CID 58294080) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-4-methylphenol
PubChem CID58294080
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(1H-imidazol-5-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2cnc[nH]2)c1
InChIInChI=1S/C10H10N2O/c1-7-2-3-10(13)8(4-7)9-5-11-6-12-9/h2-6,13H,1H3,(H,11,12)
InChIKeyQCQWMLZTPVTBGR-UHFFFAOYSA-N
XLogP2.09
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-4-methylphenol?
The IUPAC name of 2-(1H-imidazol-5-yl)-4-methylphenol (CID 58294080) is 2-(1H-imidazol-5-yl)-4-methylphenol.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-4-methylphenol?
The canonical SMILES for 2-(1H-imidazol-5-yl)-4-methylphenol is Cc1ccc(O)c(-c2cnc[nH]2)c1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-4-methylphenol?
The InChIKey is QCQWMLZTPVTBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-2-3-10(13)8(4-7)9-5-11-6-12-9/h2-6,13H,1H3,(H,11,12).
What are the key properties of 2-(1H-imidazol-5-yl)-4-methylphenol?
2-(1H-imidazol-5-yl)-4-methylphenol has a molecular weight of 174.20 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-4-methylphenol is sourced from PubChem (CID 58294080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).