1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone

C12H9F3N2O — CID 102752673

IUPAC1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C12H9F3N2O/c1-7-6-8(12(13,14)15)2-3-9(7)10(18)11-16-4-5-17-11/h2-6H,1H3,(H,16,17)
InChIKeyHXHKESKAJIKCFR-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.97
Rot. Bonds2

About 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone

1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 102752673) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID102752673
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C12H9F3N2O/c1-7-6-8(12(13,14)15)2-3-9(7)10(18)11-16-4-5-17-11/h2-6H,1H3,(H,16,17)
InChIKeyHXHKESKAJIKCFR-UHFFFAOYSA-N
XLogP2.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone 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 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 102752673) is 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(F)(F)F)ccc1C(=O)c1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HXHKESKAJIKCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-7-6-8(12(13,14)15)2-3-9(7)10(18)11-16-4-5-17-11/h2-6H,1H3,(H,16,17).
What are the key properties of 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 254.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102752673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).