4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one

C16H14F4N4O2 — CID 91334612

IUPAC4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(O)c(-c2ccc(C(F)(F)F)c(F)c2)n1CCCn1ccnc1
InChIInChI=1S/C16H14F4N4O2/c17-12-8-10(2-3-11(12)16(18,19)20)13-14(25)22-15(26)24(13)6-1-5-23-7-4-21-9-23/h2-4,7-9,25H,1,5-6H2,(H,22,26)
InChIKeyGTGMDUJLXUVYKV-UHFFFAOYSA-N
MW370.31 g/mol
LogP2.99
Rot. Bonds5

About 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one

4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (PubChem CID 91334612) has the molecular formula C16H14F4N4O2 and a molecular weight of 370.31 g/mol. Its IUPAC name is 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
PubChem CID91334612
Molecular FormulaC16H14F4N4O2
Molecular Weight370.31 g/mol
Exact Mass370.11
IUPAC Name4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(O)c(-c2ccc(C(F)(F)F)c(F)c2)n1CCCn1ccnc1
InChIInChI=1S/C16H14F4N4O2/c17-12-8-10(2-3-11(12)16(18,19)20)13-14(25)22-15(26)24(13)6-1-5-23-7-4-21-9-23/h2-4,7-9,25H,1,5-6H2,(H,22,26)
InChIKeyGTGMDUJLXUVYKV-UHFFFAOYSA-N
XLogP2.99
TPSA75.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 90896095
5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91019917
6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
CID 28994143
5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 90961409
6-amino-3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-2-one
CID 110491439
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
4-(3,5-difluorophenyl)-3-(3-imidazol-1-ylpropyl)-5-(2-thiophen-2-ylethylamino)-1H-imidazol-2-one
CID 91501024
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
CID 3835002
5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 90763889
4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol
CID 91465452
1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol
CID 90890564
3-imidazol-1-ylpropan-1-amine;trifluoromethanesulfonic acid
CID 174802569

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (CID 91334612) is 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is O=c1[nH]c(O)c(-c2ccc(C(F)(F)F)c(F)c2)n1CCCn1ccnc1.
What is the InChIKey of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The InChIKey is GTGMDUJLXUVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N4O2/c17-12-8-10(2-3-11(12)16(18,19)20)13-14(25)22-15(26)24(13)6-1-5-23-7-4-21-9-23/h2-4,7-9,25H,1,5-6H2,(H,22,26).
What are the key properties of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one has a molecular weight of 370.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 91334612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).