2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol

C12H14N2O2 — CID 137079422

IUPAC2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2nc(C)c(C)[nH]2)c1
InChIInChI=1S/C12H14N2O2/c1-7-8(2)14-12(13-7)10-6-9(16-3)4-5-11(10)15/h4-6,15H,1-3H3,(H,13,14)
InChIKeyBVCNOCQPBDAQSS-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.41
Rot. Bonds2

About 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol

2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol (PubChem CID 137079422) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol
PubChem CID137079422
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2nc(C)c(C)[nH]2)c1
InChIInChI=1S/C12H14N2O2/c1-7-8(2)14-12(13-7)10-6-9(16-3)4-5-11(10)15/h4-6,15H,1-3H3,(H,13,14)
InChIKeyBVCNOCQPBDAQSS-UHFFFAOYSA-N
XLogP2.41
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol?
The IUPAC name of 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol (CID 137079422) is 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol.
What is the SMILES notation for 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol?
The canonical SMILES for 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol is COc1ccc(O)c(-c2nc(C)c(C)[nH]2)c1.
What is the InChIKey of 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol?
The InChIKey is BVCNOCQPBDAQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-8(2)14-12(13-7)10-6-9(16-3)4-5-11(10)15/h4-6,15H,1-3H3,(H,13,14).
What are the key properties of 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol?
2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol has a molecular weight of 218.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methoxyphenol is sourced from PubChem (CID 137079422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).