5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid

C14H13F3N2O2 — CID 175016923

IUPAC5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid
SMILESCC(Cc1[nH]cnc1C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2/c1-8(6-11-12(13(20)21)19-7-18-11)9-2-4-10(5-3-9)14(15,16)17/h2-5,7-8H,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyVURXOASKCSZYCL-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.47
Rot. Bonds4

About 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid

5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid (PubChem CID 175016923) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid
PubChem CID175016923
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid
SMILESCC(Cc1[nH]cnc1C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2/c1-8(6-11-12(13(20)21)19-7-18-11)9-2-4-10(5-3-9)14(15,16)17/h2-5,7-8H,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyVURXOASKCSZYCL-UHFFFAOYSA-N
XLogP3.47
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid (CID 175016923) is 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid is CC(Cc1[nH]cnc1C(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid?
The InChIKey is VURXOASKCSZYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-8(6-11-12(13(20)21)19-7-18-11)9-2-4-10(5-3-9)14(15,16)17/h2-5,7-8H,6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid?
5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 175016923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).