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

C22H16F3N3OS — CID 158037221

IUPAC(5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(-c3csc(C(F)(F)F)c3)cc2)N1c1ccc2c(c1)N=CC2
InChIInChI=1S/C22H16F3N3OS/c23-22(24,25)20-9-16(12-30-20)13-1-3-15(4-2-13)19-11-27-21(29)28(19)17-6-5-14-7-8-26-18(14)10-17/h1-6,8-10,12,19H,7,11H2,(H,27,29)/t19-/m1/s1
InChIKeyAQTOPTSRNBHKSI-LJQANCHMSA-N
MW427.45 g/mol
LogP5.96
Rot. Bonds3

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

(5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one (PubChem CID 158037221) has the molecular formula C22H16F3N3OS and a molecular weight of 427.45 g/mol. Its IUPAC name is (5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one
PubChem CID158037221
Molecular FormulaC22H16F3N3OS
Molecular Weight427.45 g/mol
Exact Mass427.10
IUPAC Name(5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(-c3csc(C(F)(F)F)c3)cc2)N1c1ccc2c(c1)N=CC2
InChIInChI=1S/C22H16F3N3OS/c23-22(24,25)20-9-16(12-30-20)13-1-3-15(4-2-13)19-11-27-21(29)28(19)17-6-5-14-7-8-26-18(14)10-17/h1-6,8-10,12,19H,7,11H2,(H,27,29)/t19-/m1/s1
InChIKeyAQTOPTSRNBHKSI-LJQANCHMSA-N
XLogP5.96
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.45
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
The IUPAC name of (5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one (CID 158037221) is (5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for (5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for (5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one is O=C1NC[C@H](c2ccc(-c3csc(C(F)(F)F)c3)cc2)N1c1ccc2c(c1)N=CC2.
What is the InChIKey of (5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
The InChIKey is AQTOPTSRNBHKSI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H16F3N3OS/c23-22(24,25)20-9-16(12-30-20)13-1-3-15(4-2-13)19-11-27-21(29)28(19)17-6-5-14-7-8-26-18(14)10-17/h1-6,8-10,12,19H,7,11H2,(H,27,29)/t19-/m1/s1.
What are the key properties of (5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
(5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one has a molecular weight of 427.45 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 158037221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).