4-[(4,5-dimethylimidazol-1-yl)methyl]phenol

C12H14N2O — CID 116621780

IUPAC4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
SMILESCc1ncn(Cc2ccc(O)cc2)c1C
InChIInChI=1S/C12H14N2O/c1-9-10(2)14(8-13-9)7-11-3-5-12(15)6-4-11/h3-6,8,15H,7H2,1-2H3
InChIKeyINCILKSXHXUPEV-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.25
Rot. Bonds2

About 4-[(4,5-dimethylimidazol-1-yl)methyl]phenol

4-[(4,5-dimethylimidazol-1-yl)methyl]phenol (PubChem CID 116621780) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-[(4,5-dimethylimidazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
PubChem CID116621780
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
SMILESCc1ncn(Cc2ccc(O)cc2)c1C
InChIInChI=1S/C12H14N2O/c1-9-10(2)14(8-13-9)7-11-3-5-12(15)6-4-11/h3-6,8,15H,7H2,1-2H3
InChIKeyINCILKSXHXUPEV-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
CID 115648480
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
5-[(4,5-dimethylimidazol-1-yl)methyl]-2-fluorobenzoic acid
CID 107880972
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine
CID 62350541
5-bromo-6-hydroxy-3-[(4-hydroxyphenyl)methyl]pyrimidin-4-one
CID 135737353
5-[(4,5-dimethylimidazol-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 114012086
1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole
CID 14402688
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 156516413
1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
CID 115641222
3-[(4,5-dimethylimidazol-1-yl)methyl]benzenecarbothioamide
CID 62351814
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62466356

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]phenol?
The IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]phenol (CID 116621780) is 4-[(4,5-dimethylimidazol-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(4,5-dimethylimidazol-1-yl)methyl]phenol?
The canonical SMILES for 4-[(4,5-dimethylimidazol-1-yl)methyl]phenol is Cc1ncn(Cc2ccc(O)cc2)c1C.
What is the InChIKey of 4-[(4,5-dimethylimidazol-1-yl)methyl]phenol?
The InChIKey is INCILKSXHXUPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-10(2)14(8-13-9)7-11-3-5-12(15)6-4-11/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 4-[(4,5-dimethylimidazol-1-yl)methyl]phenol?
4-[(4,5-dimethylimidazol-1-yl)methyl]phenol has a molecular weight of 202.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethylimidazol-1-yl)methyl]phenol is sourced from PubChem (CID 116621780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).