5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione

C22H13F4N3O2S — CID 157385957

IUPAC5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3c(c2)N=CC3)C1c1ccc(-c2csc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C22H13F4N3O2S/c23-16-7-12(13-8-18(32-10-13)22(24,25)26)2-4-15(16)19-20(30)28-21(31)29(19)14-3-1-11-5-6-27-17(11)9-14/h1-4,6-10,19H,5H2,(H,28,30,31)
InChIKeyOORJUEGXHIGJEW-UHFFFAOYSA-N
MW459.42 g/mol
LogP5.63
Rot. Bonds3

About 5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione

5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione (PubChem CID 157385957) has the molecular formula C22H13F4N3O2S and a molecular weight of 459.42 g/mol. Its IUPAC name is 5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
PubChem CID157385957
Molecular FormulaC22H13F4N3O2S
Molecular Weight459.42 g/mol
Exact Mass459.07
IUPAC Name5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3c(c2)N=CC3)C1c1ccc(-c2csc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C22H13F4N3O2S/c23-16-7-12(13-8-18(32-10-13)22(24,25)26)2-4-15(16)19-20(30)28-21(31)29(19)14-3-1-11-5-6-27-17(11)9-14/h1-4,6-10,19H,5H2,(H,28,30,31)
InChIKeyOORJUEGXHIGJEW-UHFFFAOYSA-N
XLogP5.63
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione (CID 157385957) is 5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione is O=C1NC(=O)N(c2ccc3c(c2)N=CC3)C1c1ccc(-c2csc(C(F)(F)F)c2)cc1F.
What is the InChIKey of 5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
The InChIKey is OORJUEGXHIGJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4N3O2S/c23-16-7-12(13-8-18(32-10-13)22(24,25)26)2-4-15(16)19-20(30)28-21(31)29(19)14-3-1-11-5-6-27-17(11)9-14/h1-4,6-10,19H,5H2,(H,28,30,31).
What are the key properties of 5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione has a molecular weight of 459.42 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 157385957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).