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

C22H14F5N3OS — CID 158092367

IUPAC(5S)-5-[2,3-difluoro-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)c2F)N1c1ccc2c(c1)N=CC2
InChIInChI=1S/C22H14F5N3OS/c23-19-14(12-7-18(32-10-12)22(25,26)27)3-4-15(20(19)24)17-9-29-21(31)30(17)13-2-1-11-5-6-28-16(11)8-13/h1-4,6-8,10,17H,5,9H2,(H,29,31)/t17-/m1/s1
InChIKeyFOGMOLHTUDHBBG-QGZVFWFLSA-N
MW463.43 g/mol
LogP6.24
Rot. Bonds3

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

(5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one (PubChem CID 158092367) has the molecular formula C22H14F5N3OS and a molecular weight of 463.43 g/mol. Its IUPAC name is (5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one
PubChem CID158092367
Molecular FormulaC22H14F5N3OS
Molecular Weight463.43 g/mol
Exact Mass463.08
IUPAC Name(5S)-5-[2,3-difluoro-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)c2F)N1c1ccc2c(c1)N=CC2
InChIInChI=1S/C22H14F5N3OS/c23-19-14(12-7-18(32-10-12)22(25,26)27)3-4-15(20(19)24)17-9-29-21(31)30(17)13-2-1-11-5-6-28-16(11)8-13/h1-4,6-8,10,17H,5,9H2,(H,29,31)/t17-/m1/s1
InChIKeyFOGMOLHTUDHBBG-QGZVFWFLSA-N
XLogP6.24
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.43
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
The IUPAC name of (5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one (CID 158092367) is (5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one.
What is the SMILES notation for (5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
The canonical SMILES for (5S)-5-[2,3-difluoro-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)c2F)N1c1ccc2c(c1)N=CC2.
What is the InChIKey of (5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
The InChIKey is FOGMOLHTUDHBBG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H14F5N3OS/c23-19-14(12-7-18(32-10-12)22(25,26)27)3-4-15(20(19)24)17-9-29-21(31)30(17)13-2-1-11-5-6-28-16(11)8-13/h1-4,6-8,10,17H,5,9H2,(H,29,31)/t17-/m1/s1.
What are the key properties of (5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
(5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one has a molecular weight of 463.43 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one is sourced from PubChem (CID 158092367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).