4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one

C14H13F3N2O — CID 19078351

IUPAC4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one
SMILESO=C(CCCn1ccnc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-5-3-11(4-6-12)13(20)2-1-8-19-9-7-18-10-19/h3-7,9-10H,1-2,8H2
InChIKeyPKSSAPVOUQKKJJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.57
Rot. Bonds5

About 4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one

4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one (PubChem CID 19078351) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one
PubChem CID19078351
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one
SMILESO=C(CCCn1ccnc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-5-3-11(4-6-12)13(20)2-1-8-19-9-7-18-10-19/h3-7,9-10H,1-2,8H2
InChIKeyPKSSAPVOUQKKJJ-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butylidene]amino]oxyethanamine;dihydrochloride
CID 73474165
2-[(E)-[3-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]propylidene]amino]oxyethanamine
CID 21467438
1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one
CID 20518561
7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 66784650
N-(2-aminoethoxy)-5-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
CID 57142142
1-[2,3-bis(4-methylphenyl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one
CID 148658685
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 11459571
2-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60658022
6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one
CID 54339504
5-imidazol-1-yl-2-oxopentanoic acid
CID 174329319
N-(3-imidazol-1-ylpropyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037964

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one (CID 19078351) is 4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one is O=C(CCCn1ccnc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one?
The InChIKey is PKSSAPVOUQKKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)12-5-3-11(4-6-12)13(20)2-1-8-19-9-7-18-10-19/h3-7,9-10H,1-2,8H2.
What are the key properties of 4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one?
4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one has a molecular weight of 282.27 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one is sourced from PubChem (CID 19078351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).