3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid

C18H10F4N2O2 — CID 173493498

IUPAC3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cnc(C=Cc2c(F)ccc(F)c2F)n1-c1ccc(F)cc1
InChIInChI=1S/C18H10F4N2O2/c19-10-1-3-11(4-2-10)24-15(18(25)26)9-23-16(24)8-5-12-13(20)6-7-14(21)17(12)22/h1-9H,(H,25,26)
InChIKeyHAOBSLIXJHYHHB-UHFFFAOYSA-N
MW362.28 g/mol
LogP4.30
Rot. Bonds4

About 3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid

3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid (PubChem CID 173493498) has the molecular formula C18H10F4N2O2 and a molecular weight of 362.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid
PubChem CID173493498
Molecular FormulaC18H10F4N2O2
Molecular Weight362.28 g/mol
Exact Mass362.07
IUPAC Name3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cnc(C=Cc2c(F)ccc(F)c2F)n1-c1ccc(F)cc1
InChIInChI=1S/C18H10F4N2O2/c19-10-1-3-11(4-2-10)24-15(18(25)26)9-23-16(24)8-5-12-13(20)6-7-14(21)17(12)22/h1-9H,(H,25,26)
InChIKeyHAOBSLIXJHYHHB-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid (CID 173493498) is 3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid is O=C(O)c1cnc(C=Cc2c(F)ccc(F)c2F)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid?
The InChIKey is HAOBSLIXJHYHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N2O2/c19-10-1-3-11(4-2-10)24-15(18(25)26)9-23-16(24)8-5-12-13(20)6-7-14(21)17(12)22/h1-9H,(H,25,26).
What are the key properties of 3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid?
3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid has a molecular weight of 362.28 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[2-(2,3,6-trifluorophenyl)ethenyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 173493498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).