[4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone

C18H13F3N2O — CID 150901036

IUPAC[4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCn1ccnc1-c1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H13F3N2O/c1-23-10-9-22-17(23)13-7-5-12(6-8-13)16(24)14-3-2-4-15(11-14)18(19,20)21/h2-11H,1H3
InChIKeyKZZVPSWPOHYBDV-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.34
Rot. Bonds3

About [4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone

[4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 150901036) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID150901036
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name[4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCn1ccnc1-c1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H13F3N2O/c1-23-10-9-22-17(23)13-7-5-12(6-8-13)16(24)14-3-2-4-15(11-14)18(19,20)21/h2-11H,1H3
InChIKeyKZZVPSWPOHYBDV-UHFFFAOYSA-N
XLogP4.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 5303840
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
4-(1-methylimidazol-2-yl)benzoic acid
CID 23009409
(1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 12648627
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
2-(1-methylimidazol-2-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 4138789
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 18628527
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 82730577

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone (CID 150901036) is [4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone is Cn1ccnc1-c1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is KZZVPSWPOHYBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-23-10-9-22-17(23)13-7-5-12(6-8-13)16(24)14-3-2-4-15(11-14)18(19,20)21/h2-11H,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 330.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 150901036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).