1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone

C17H11F3N2O — CID 154708152

IUPAC1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1[nH]c(-c2ccccc2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)15(23)14-13(11-7-3-1-4-8-11)21-16(22-14)12-9-5-2-6-10-12/h1-10H,(H,21,22)
InChIKeyVQLVTWCDIGHINJ-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.49
Rot. Bonds3

About 1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone

1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone (PubChem CID 154708152) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone
PubChem CID154708152
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC Name1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1[nH]c(-c2ccccc2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)15(23)14-13(11-7-3-1-4-8-11)21-16(22-14)12-9-5-2-6-10-12/h1-10H,(H,21,22)
InChIKeyVQLVTWCDIGHINJ-UHFFFAOYSA-N
XLogP4.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid
CID 70249057
1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone
CID 15851436
(E)-3-(2,4-diphenyl-1H-imidazol-5-yl)prop-2-enoic acid
CID 139657150
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]benzoyl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 135533952
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
CID 135280728
methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703614
methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703620
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide
CID 143076239

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone (CID 154708152) is 1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone is O=C(c1[nH]c(-c2ccccc2)nc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone?
The InChIKey is VQLVTWCDIGHINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)15(23)14-13(11-7-3-1-4-8-11)21-16(22-14)12-9-5-2-6-10-12/h1-10H,(H,21,22).
What are the key properties of 1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone?
1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone has a molecular weight of 316.28 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 154708152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).