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

C18H17N3O2 — CID 86269077

IUPAC2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCCc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1
InChIInChI=1S/C18H17N3O2/c1-3-12-4-6-13(7-5-12)17-16(20-11-21(17)2)15-10-14(18(22)23)8-9-19-15/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyYIYGVYOANZWNAL-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.41
Rot. Bonds4

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

2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 86269077) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID86269077
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCCc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1
InChIInChI=1S/C18H17N3O2/c1-3-12-4-6-13(7-5-12)17-16(20-11-21(17)2)15-10-14(18(22)23)8-9-19-15/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyYIYGVYOANZWNAL-UHFFFAOYSA-N
XLogP3.41
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
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4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
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SL-84.0877
CID 13691335

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (CID 86269077) is 2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is CCc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1.
What is the InChIKey of 2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is YIYGVYOANZWNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-12-4-6-13(7-5-12)17-16(20-11-21(17)2)15-10-14(18(22)23)8-9-19-15/h4-11H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86269077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).