(3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol

C13H16N2O3 — CID 114023372

IUPAC(3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
SMILESCOc1cc(OC)cc(C(O)c2cn(C)cn2)c1
InChIInChI=1S/C13H16N2O3/c1-15-7-12(14-8-15)13(16)9-4-10(17-2)6-11(5-9)18-3/h4-8,13,16H,1-3H3
InChIKeyCSYFDKQAUOQUDH-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.52
Rot. Bonds4

About (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol

(3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol (PubChem CID 114023372) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
PubChem CID114023372
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
SMILESCOc1cc(OC)cc(C(O)c2cn(C)cn2)c1
InChIInChI=1S/C13H16N2O3/c1-15-7-12(14-8-15)13(16)9-4-10(17-2)6-11(5-9)18-3/h4-8,13,16H,1-3H3
InChIKeyCSYFDKQAUOQUDH-UHFFFAOYSA-N
XLogP1.52
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol 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

(5-methoxy-3-pyridinyl)-(1-methylimidazol-4-yl)methanol
CID 107978609
(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978350
(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634
(4-methoxy-1-methylpyrazol-5-yl)-(1-methylimidazol-4-yl)methanol
CID 107978707
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylimidazol-4-yl)methanol
CID 107978320
(3-fluoro-4-isocyanophenyl)-(1-methylimidazol-4-yl)methanol
CID 22966387
1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol
CID 107978695
(1-methylimidazol-4-yl)-(1,3-thiazol-2-yl)methanol
CID 130508756
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol
CID 130508957
(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
CID 11092260

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol?
The IUPAC name of (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol (CID 114023372) is (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol?
The canonical SMILES for (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol is COc1cc(OC)cc(C(O)c2cn(C)cn2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol?
The InChIKey is CSYFDKQAUOQUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-7-12(14-8-15)13(16)9-4-10(17-2)6-11(5-9)18-3/h4-8,13,16H,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol?
(3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol has a molecular weight of 248.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 114023372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).