1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid

C11H6ClF3N2O2 — CID 58374090

IUPAC1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1ncn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C11H6ClF3N2O2/c12-6-1-3-7(4-2-6)17-5-16-8(10(18)19)9(17)11(13,14)15/h1-5H,(H,18,19)
InChIKeyOYGZGSNUMWONJD-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.24
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid

1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid (PubChem CID 58374090) has the molecular formula C11H6ClF3N2O2 and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid
PubChem CID58374090
Molecular FormulaC11H6ClF3N2O2
Molecular Weight290.63 g/mol
Exact Mass290.01
IUPAC Name1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1ncn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C11H6ClF3N2O2/c12-6-1-3-7(4-2-6)17-5-16-8(10(18)19)9(17)11(13,14)15/h1-5H,(H,18,19)
InChIKeyOYGZGSNUMWONJD-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid (CID 58374090) is 1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid is O=C(O)c1ncn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The InChIKey is OYGZGSNUMWONJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2/c12-6-1-3-7(4-2-6)17-5-16-8(10(18)19)9(17)11(13,14)15/h1-5H,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid?
1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid has a molecular weight of 290.63 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(trifluoromethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 58374090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).