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

C12H9F3N2O — CID 5303840

IUPAC(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCn1ccnc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O/c1-17-6-5-16-11(17)10(18)8-3-2-4-9(7-8)12(13,14)15/h2-7H,1H3
InChIKeyRZOLGEKUAZSUDQ-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.67
Rot. Bonds2

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

(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 5303840) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID5303840
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCn1ccnc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O/c1-17-6-5-16-11(17)10(18)8-3-2-4-9(7-8)12(13,14)15/h2-7H,1H3
InChIKeyRZOLGEKUAZSUDQ-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 150901036
(1-methylpyrrol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 12648627
2-(1-methylimidazol-2-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 4138789
(1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105101077
(1-methylimidazol-2-yl)-naphthalen-2-ylmethanone
CID 60660061
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone
CID 96662606
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone
CID 116601746
(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 82730577
3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
CID 19700744
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 5303840) is (1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone is Cn1ccnc1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is RZOLGEKUAZSUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-17-6-5-16-11(17)10(18)8-3-2-4-9(7-8)12(13,14)15/h2-7H,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 254.21 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 5303840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).