2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid

C18H11F2N3O3 — CID 118626615

IUPAC2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)nc2-c2ccc(C#N)c(F)c2)cc1F
InChIInChI=1S/C18H11F2N3O3/c1-26-16-5-4-12(7-14(16)20)23-9-15(18(24)25)22-17(23)10-2-3-11(8-21)13(19)6-10/h2-7,9H,1H3,(H,24,25)
InChIKeySUGOGTMLWMENLE-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.40
Rot. Bonds4

About 2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid

2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid (PubChem CID 118626615) has the molecular formula C18H11F2N3O3 and a molecular weight of 355.30 g/mol. Its IUPAC name is 2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid
PubChem CID118626615
Molecular FormulaC18H11F2N3O3
Molecular Weight355.30 g/mol
Exact Mass355.08
IUPAC Name2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)nc2-c2ccc(C#N)c(F)c2)cc1F
InChIInChI=1S/C18H11F2N3O3/c1-26-16-5-4-12(7-14(16)20)23-9-15(18(24)25)22-17(23)10-2-3-11(8-21)13(19)6-10/h2-7,9H,1H3,(H,24,25)
InChIKeySUGOGTMLWMENLE-UHFFFAOYSA-N
XLogP3.40
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid (CID 118626615) is 2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid is COc1ccc(-n2cc(C(=O)O)nc2-c2ccc(C#N)c(F)c2)cc1F.
What is the InChIKey of 2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid?
The InChIKey is SUGOGTMLWMENLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O3/c1-26-16-5-4-12(7-14(16)20)23-9-15(18(24)25)22-17(23)10-2-3-11(8-21)13(19)6-10/h2-7,9H,1H3,(H,24,25).
What are the key properties of 2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid?
2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid has a molecular weight of 355.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 118626615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).