4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one

C17H17ClF3N5O3 — CID 175297097

IUPAC4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
SMILESCC(O)c1n[nH]c(Cn2cc(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)n1
InChIInChI=1S/C17H17ClF3N5O3/c1-9(27)15-22-14(23-24-15)8-25-6-12(10-2-4-11(18)5-3-10)26(16(25)29)7-13(28)17(19,20)21/h2-6,9,13,27-28H,7-8H2,1H3,(H,22,23,24)
InChIKeyUJHHBNFIUMXYAV-UHFFFAOYSA-N
MW431.80 g/mol
LogP2.11
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one

4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one (PubChem CID 175297097) has the molecular formula C17H17ClF3N5O3 and a molecular weight of 431.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
PubChem CID175297097
Molecular FormulaC17H17ClF3N5O3
Molecular Weight431.80 g/mol
Exact Mass431.10
IUPAC Name4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
SMILESCC(O)c1n[nH]c(Cn2cc(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)n1
InChIInChI=1S/C17H17ClF3N5O3/c1-9(27)15-22-14(23-24-15)8-25-6-12(10-2-4-11(18)5-3-10)26(16(25)29)7-13(28)17(19,20)21/h2-6,9,13,27-28H,7-8H2,1H3,(H,22,23,24)
InChIKeyUJHHBNFIUMXYAV-UHFFFAOYSA-N
XLogP2.11
TPSA108.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.80
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one
CID 164896574
4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
CID 175297173
4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
CID 175297034
2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid
CID 59536810
1-[[1-(4-chloro-2-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-4-(4-chlorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
CID 175296976
4-(4-chlorophenyl)-1-[[1-(2-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one
CID 164896592
1-[[1-(3-chloro-5-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-4-(4-chlorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
CID 175296990
4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
CID 175297021
1-[[1-(4-chloro-3-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-4-(4-chlorophenyl)-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one
CID 164896585
4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one
CID 164896628
4-(4-chlorophenyl)-1-[[1-(2,5-difluorophenyl)-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
CID 175297001
4-(4-chlorophenyl)-1-[[1-(2,4-difluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
CID 175297051

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one (CID 175297097) is 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one is CC(O)c1n[nH]c(Cn2cc(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)n1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one?
The InChIKey is UJHHBNFIUMXYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N5O3/c1-9(27)15-22-14(23-24-15)8-25-6-12(10-2-4-11(18)5-3-10)26(16(25)29)7-13(28)17(19,20)21/h2-6,9,13,27-28H,7-8H2,1H3,(H,22,23,24).
What are the key properties of 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one?
4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one has a molecular weight of 431.80 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one is sourced from PubChem (CID 175297097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).