2-imidazol-1-yl-3-methylphenol

C10H10N2O — CID 70472406

IUPAC2-imidazol-1-yl-3-methylphenol
SMILESCc1cccc(O)c1-n1ccnc1
InChIInChI=1S/C10H10N2O/c1-8-3-2-4-9(13)10(8)12-6-5-11-7-12/h2-7,13H,1H3
InChIKeyCNGZDLYWUFDRPA-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.89
Rot. Bonds1

About 2-imidazol-1-yl-3-methylphenol

2-imidazol-1-yl-3-methylphenol (PubChem CID 70472406) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-imidazol-1-yl-3-methylphenol.

Molecular Properties

Compound Name2-imidazol-1-yl-3-methylphenol
PubChem CID70472406
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-imidazol-1-yl-3-methylphenol
SMILESCc1cccc(O)c1-n1ccnc1
InChIInChI=1S/C10H10N2O/c1-8-3-2-4-9(13)10(8)12-6-5-11-7-12/h2-7,13H,1H3
InChIKeyCNGZDLYWUFDRPA-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(9H-fluoren-9-yl)-6-methylphenyl]imidazole
CID 174625556
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
(3-ethyl-2-imidazol-1-ylphenyl)methanamine
CID 84670177
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
1-(2-bromo-6-chlorophenyl)imidazole
CID 169336697
9,10-dimethyl-5H-phenazin-1-ol
CID 141446467
2-(4-imidazol-1-ylphenyl)-4-methylisoindole-1,3-dione
CID 53392519
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
2-hydroxy-3-methylbenzaldehyde;1-methylimidazole
CID 130247486
N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175
5-(aminomethyl)-2-imidazol-1-ylphenol
CID 84662023
(4-imidazol-1-yl-3-methylphenyl)methanol
CID 62122421

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-3-methylphenol?
The IUPAC name of 2-imidazol-1-yl-3-methylphenol (CID 70472406) is 2-imidazol-1-yl-3-methylphenol.
What is the SMILES notation for 2-imidazol-1-yl-3-methylphenol?
The canonical SMILES for 2-imidazol-1-yl-3-methylphenol is Cc1cccc(O)c1-n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-3-methylphenol?
The InChIKey is CNGZDLYWUFDRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-3-2-4-9(13)10(8)12-6-5-11-7-12/h2-7,13H,1H3.
What are the key properties of 2-imidazol-1-yl-3-methylphenol?
2-imidazol-1-yl-3-methylphenol has a molecular weight of 174.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-3-methylphenol is sourced from PubChem (CID 70472406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).