2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol

C13H16N2O2 — CID 105490983

IUPAC2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol
SMILESCC(C)c1[nH]c(CO)nc1-c1ccccc1O
InChIInChI=1S/C13H16N2O2/c1-8(2)12-13(15-11(7-16)14-12)9-5-3-4-6-10(9)17/h3-6,8,16-17H,7H2,1-2H3,(H,14,15)
InChIKeyCLPHSZGZQCLGCF-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.40
Rot. Bonds3

About 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol

2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol (PubChem CID 105490983) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol
PubChem CID105490983
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol
SMILESCC(C)c1[nH]c(CO)nc1-c1ccccc1O
InChIInChI=1S/C13H16N2O2/c1-8(2)12-13(15-11(7-16)14-12)9-5-3-4-6-10(9)17/h3-6,8,16-17H,7H2,1-2H3,(H,14,15)
InChIKeyCLPHSZGZQCLGCF-UHFFFAOYSA-N
XLogP2.40
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine
CID 11311287
[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol
CID 105498426
4-methylsulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole;(4-methylsulfanyl-5-propan-2-yl-1H-imidazol-2-yl)methanol
CID 90843307
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
(4,5-diphenyl-1H-imidazol-2-yl)methanol
CID 63926988
2-(4,5-diethyl-1H-imidazol-2-yl)phenol
CID 139127100
4-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105456043
2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol
CID 140692175
2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol
CID 115030601
4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol
CID 105498441
2-(4-propan-2-ylpyrimidin-2-yl)phenol
CID 136866665
(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanol
CID 121212085

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol?
The IUPAC name of 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol (CID 105490983) is 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol is CC(C)c1[nH]c(CO)nc1-c1ccccc1O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol?
The InChIKey is CLPHSZGZQCLGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)12-13(15-11(7-16)14-12)9-5-3-4-6-10(9)17/h3-6,8,16-17H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol?
2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol has a molecular weight of 232.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol is sourced from PubChem (CID 105490983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).