1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C19H18ClF3N2O2 — CID 69043785

IUPAC1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NC(c2cccc(C(F)(F)F)c2)CN1CC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF3N2O2/c20-15-6-4-12(5-7-15)17(26)8-9-25-11-16(24-18(25)27)13-2-1-3-14(10-13)19(21,22)23/h1-7,10,16-17,26H,8-9,11H2,(H,24,27)/t16?,17-/m0/s1
InChIKeyFXRVJEOAXBEICV-DJNXLDHESA-N
MW398.81 g/mol
LogP4.55
Rot. Bonds5

About 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 69043785) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID69043785
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NC(c2cccc(C(F)(F)F)c2)CN1CC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF3N2O2/c20-15-6-4-12(5-7-15)17(26)8-9-25-11-16(24-18(25)27)13-2-1-3-14(10-13)19(21,22)23/h1-7,10,16-17,26H,8-9,11H2,(H,24,27)/t16?,17-/m0/s1
InChIKeyFXRVJEOAXBEICV-DJNXLDHESA-N
XLogP4.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 69043785) is 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1NC(c2cccc(C(F)(F)F)c2)CN1CC[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is FXRVJEOAXBEICV-DJNXLDHESA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c20-15-6-4-12(5-7-15)17(26)8-9-25-11-16(24-18(25)27)13-2-1-3-14(10-13)19(21,22)23/h1-7,10,16-17,26H,8-9,11H2,(H,24,27)/t16?,17-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 398.81 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 69043785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).