3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid

C15H18N2O3 — CID 82306920

IUPAC3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
SMILESCCc1ccc(OC)c(Cn2cnc(C)c2C(=O)O)c1
InChIInChI=1S/C15H18N2O3/c1-4-11-5-6-13(20-3)12(7-11)8-17-9-16-10(2)14(17)15(18)19/h5-7,9H,4,8H2,1-3H3,(H,18,19)
InChIKeyOLIGNHYRPKBJLW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.51
Rot. Bonds5

About 3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid

3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid (PubChem CID 82306920) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
PubChem CID82306920
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
SMILESCCc1ccc(OC)c(Cn2cnc(C)c2C(=O)O)c1
InChIInChI=1S/C15H18N2O3/c1-4-11-5-6-13(20-3)12(7-11)8-17-9-16-10(2)14(17)15(18)19/h5-7,9H,4,8H2,1-3H3,(H,18,19)
InChIKeyOLIGNHYRPKBJLW-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82303624
3-[(4-ethoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82301541
1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
CID 115624836
4-methoxy-3-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoic acid
CID 62024053
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
2-[(5-ethyl-2-methoxyphenyl)methyl]prop-2-enoic acid
CID 116866222
5-ethyl-2-methoxybenzoic acid
CID 20721149
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 95482065
[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid?
The IUPAC name of 3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid (CID 82306920) is 3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid?
The canonical SMILES for 3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid is CCc1ccc(OC)c(Cn2cnc(C)c2C(=O)O)c1.
What is the InChIKey of 3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid?
The InChIKey is OLIGNHYRPKBJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-11-5-6-13(20-3)12(7-11)8-17-9-16-10(2)14(17)15(18)19/h5-7,9H,4,8H2,1-3H3,(H,18,19).
What are the key properties of 3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid?
3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 82306920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).