3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid

C14H15FN2O3 — CID 95482065

IUPAC3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
SMILESCOc1ccc(F)cc1Cn1c(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H15FN2O3/c1-8-13(14(18)19)17(9(2)16-8)7-10-6-11(15)4-5-12(10)20-3/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyREQREGHJSBQWLW-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.39
Rot. Bonds4

About 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid

3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid (PubChem CID 95482065) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
PubChem CID95482065
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
SMILESCOc1ccc(F)cc1Cn1c(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H15FN2O3/c1-8-13(14(18)19)17(9(2)16-8)7-10-6-11(15)4-5-12(10)20-3/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyREQREGHJSBQWLW-UHFFFAOYSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid 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

3-(3,4-dimethoxyphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 95478982
2-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]-4-fluorobenzoic acid
CID 107908250
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423608
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56910155
2-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725201
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one
CID 24609427
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 63126703
1-[(2-chloro-4-fluorophenyl)methyl]-3-[[(2-methoxyphenyl)methylamino]methyl]-6-methylindole-2-carboxylic acid
CID 53209243
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-phenylpyrazole-4-carboxamide
CID 52910309
3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82306920
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid (CID 95482065) is 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid is COc1ccc(F)cc1Cn1c(C)nc(C)c1C(=O)O.
What is the InChIKey of 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid?
The InChIKey is REQREGHJSBQWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-8-13(14(18)19)17(9(2)16-8)7-10-6-11(15)4-5-12(10)20-3/h4-6H,7H2,1-3H3,(H,18,19).
What are the key properties of 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid?
3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid has a molecular weight of 278.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid is sourced from PubChem (CID 95482065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).