4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole

C13H16N2O3 — CID 147782659

IUPAC4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
SMILESCOc1cc(-n2cnc(C)c2)cc(OC)c1OC
InChIInChI=1S/C13H16N2O3/c1-9-7-15(8-14-9)10-5-11(16-2)13(18-4)12(6-10)17-3/h5-8H,1-4H3
InChIKeyHIBXUVHYABTQDH-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.21
Rot. Bonds4

About 4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole

4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole (PubChem CID 147782659) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole.

Molecular Properties

Compound Name4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
PubChem CID147782659
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
SMILESCOc1cc(-n2cnc(C)c2)cc(OC)c1OC
InChIInChI=1S/C13H16N2O3/c1-9-7-15(8-14-9)10-5-11(16-2)13(18-4)12(6-10)17-3/h5-8H,1-4H3
InChIKeyHIBXUVHYABTQDH-UHFFFAOYSA-N
XLogP2.21
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine
CID 163513532
1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine
CID 163422541
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
3-methoxy-2-(4-methylimidazol-1-yl)pyridine
CID 141128975
3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine
CID 84617710
4-methoxy-N-methyl-5-(4-methylimidazol-1-yl)pyridin-2-amine
CID 169237582
2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 172791028
2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine
CID 175784810
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
trifluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boranuide
CID 140582920
2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 43394694
4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
CID 58110571

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole?
The IUPAC name of 4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole (CID 147782659) is 4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole.
What is the SMILES notation for 4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole?
The canonical SMILES for 4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole is COc1cc(-n2cnc(C)c2)cc(OC)c1OC.
What is the InChIKey of 4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole?
The InChIKey is HIBXUVHYABTQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-7-15(8-14-9)10-5-11(16-2)13(18-4)12(6-10)17-3/h5-8H,1-4H3.
What are the key properties of 4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole?
4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole has a molecular weight of 248.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole is sourced from PubChem (CID 147782659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).