(5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one

C22H15F4N3OS — CID 158037223

IUPAC(5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(-c3csc(C(F)(F)F)c3)c(F)c2)N1c1ccc2c(c1)N=CC2
InChIInChI=1S/C22H15F4N3OS/c23-17-7-13(2-4-16(17)14-8-20(31-11-14)22(24,25)26)19-10-28-21(30)29(19)15-3-1-12-5-6-27-18(12)9-15/h1-4,6-9,11,19H,5,10H2,(H,28,30)/t19-/m1/s1
InChIKeyTYEDVSNTXMBHBE-LJQANCHMSA-N
MW445.44 g/mol
LogP6.10
Rot. Bonds3

About (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one

(5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one (PubChem CID 158037223) has the molecular formula C22H15F4N3OS and a molecular weight of 445.44 g/mol. Its IUPAC name is (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one
PubChem CID158037223
Molecular FormulaC22H15F4N3OS
Molecular Weight445.44 g/mol
Exact Mass445.09
IUPAC Name(5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(-c3csc(C(F)(F)F)c3)c(F)c2)N1c1ccc2c(c1)N=CC2
InChIInChI=1S/C22H15F4N3OS/c23-17-7-13(2-4-16(17)14-8-20(31-11-14)22(24,25)26)19-10-28-21(30)29(19)15-3-1-12-5-6-27-18(12)9-15/h1-4,6-9,11,19H,5,10H2,(H,28,30)/t19-/m1/s1
InChIKeyTYEDVSNTXMBHBE-LJQANCHMSA-N
XLogP6.10
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.44
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)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 (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
The IUPAC name of (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one (CID 158037223) is (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one.
What is the SMILES notation for (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
The canonical SMILES for (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one is O=C1NC[C@H](c2ccc(-c3csc(C(F)(F)F)c3)c(F)c2)N1c1ccc2c(c1)N=CC2.
What is the InChIKey of (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
The InChIKey is TYEDVSNTXMBHBE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H15F4N3OS/c23-17-7-13(2-4-16(17)14-8-20(31-11-14)22(24,25)26)19-10-28-21(30)29(19)15-3-1-12-5-6-27-18(12)9-15/h1-4,6-9,11,19H,5,10H2,(H,28,30)/t19-/m1/s1.
What are the key properties of (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
(5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one has a molecular weight of 445.44 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one is sourced from PubChem (CID 158037223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).