2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid

C18H16FN3O2 — CID 174281142

IUPAC2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid
SMILESCCc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CC(=O)O
InChIInChI=1S/C18H16FN3O2/c1-2-15-21-17(12-3-5-14(19)6-4-12)18(22(15)11-16(23)24)13-7-9-20-10-8-13/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyHTSOJUFPGRNTRW-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.40
Rot. Bonds5

About 2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid

2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid (PubChem CID 174281142) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid
PubChem CID174281142
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid
SMILESCCc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CC(=O)O
InChIInChI=1S/C18H16FN3O2/c1-2-15-21-17(12-3-5-14(19)6-4-12)18(22(15)11-16(23)24)13-7-9-20-10-8-13/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyHTSOJUFPGRNTRW-UHFFFAOYSA-N
XLogP3.40
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid (CID 174281142) is 2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid is CCc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CC(=O)O.
What is the InChIKey of 2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid?
The InChIKey is HTSOJUFPGRNTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-2-15-21-17(12-3-5-14(19)6-4-12)18(22(15)11-16(23)24)13-7-9-20-10-8-13/h3-10H,2,11H2,1H3,(H,23,24).
What are the key properties of 2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid?
2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid has a molecular weight of 325.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid is sourced from PubChem (CID 174281142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).