2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid

C18H17N3O3 — CID 90407279

IUPAC2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCCOc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1
InChIInChI=1S/C18H17N3O3/c1-3-24-14-6-4-12(5-7-14)17-16(20-11-21(17)2)15-10-13(18(22)23)8-9-19-15/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyMYWICJXUGCWVAW-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.25
Rot. Bonds5

About 2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid

2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407279) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407279
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCCOc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1
InChIInChI=1S/C18H17N3O3/c1-3-24-14-6-4-12(5-7-14)17-16(20-11-21(17)2)15-10-13(18(22)23)8-9-19-15/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyMYWICJXUGCWVAW-UHFFFAOYSA-N
XLogP3.25
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (CID 90407279) is 2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is CCOc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is MYWICJXUGCWVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-14-6-4-12(5-7-14)17-16(20-11-21(17)2)15-10-13(18(22)23)8-9-19-15/h4-11H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).