5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid

C10H10F3N3O3 — CID 71279174

IUPAC5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESCn1c(C(F)(F)F)nc(C(=O)N2CCC2)c1C(=O)O
InChIInChI=1S/C10H10F3N3O3/c1-15-6(8(18)19)5(7(17)16-3-2-4-16)14-9(15)10(11,12)13/h2-4H2,1H3,(H,18,19)
InChIKeyLIAKMBCEKUYAGD-UHFFFAOYSA-N
MW277.20 g/mol
LogP0.98
Rot. Bonds2

About 5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid

5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid (PubChem CID 71279174) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid
PubChem CID71279174
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESCn1c(C(F)(F)F)nc(C(=O)N2CCC2)c1C(=O)O
InChIInChI=1S/C10H10F3N3O3/c1-15-6(8(18)19)5(7(17)16-3-2-4-16)14-9(15)10(11,12)13/h2-4H2,1H3,(H,18,19)
InChIKeyLIAKMBCEKUYAGD-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid?
The IUPAC name of 5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid (CID 71279174) is 5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid is Cn1c(C(F)(F)F)nc(C(=O)N2CCC2)c1C(=O)O.
What is the InChIKey of 5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid?
The InChIKey is LIAKMBCEKUYAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c1-15-6(8(18)19)5(7(17)16-3-2-4-16)14-9(15)10(11,12)13/h2-4H2,1H3,(H,18,19).
What are the key properties of 5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid?
5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid has a molecular weight of 277.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidine-1-carbonyl)-3-methyl-2-(trifluoromethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 71279174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).