3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid

C15H15F3N2O2 — CID 140509455

IUPAC3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
SMILESCC(C)c1nc(-c2ccc(C(F)(F)F)cc2)n(C)c1C(=O)O
InChIInChI=1S/C15H15F3N2O2/c1-8(2)11-12(14(21)22)20(3)13(19-11)9-4-6-10(7-5-9)15(16,17)18/h4-8H,1-3H3,(H,21,22)
InChIKeyLUCWZFYEAICUBS-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.93
Rot. Bonds3

About 3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid

3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid (PubChem CID 140509455) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
PubChem CID140509455
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
SMILESCC(C)c1nc(-c2ccc(C(F)(F)F)cc2)n(C)c1C(=O)O
InChIInChI=1S/C15H15F3N2O2/c1-8(2)11-12(14(21)22)20(3)13(19-11)9-4-6-10(7-5-9)15(16,17)18/h4-8H,1-3H3,(H,21,22)
InChIKeyLUCWZFYEAICUBS-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid (CID 140509455) is 3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid is CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)n(C)c1C(=O)O.
What is the InChIKey of 3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid?
The InChIKey is LUCWZFYEAICUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-8(2)11-12(14(21)22)20(3)13(19-11)9-4-6-10(7-5-9)15(16,17)18/h4-8H,1-3H3,(H,21,22).
What are the key properties of 3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid?
3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid has a molecular weight of 312.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 140509455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).