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

C22H12F5N3O2S — CID 157385959

IUPAC5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3c(c2)N=CC3)C1c1c(F)cc(-c2csc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C22H12F5N3O2S/c23-14-5-11(12-7-17(33-9-12)22(25,26)27)6-15(24)18(14)19-20(31)29-21(32)30(19)13-2-1-10-3-4-28-16(10)8-13/h1-2,4-9,19H,3H2,(H,29,31,32)
InChIKeyRABQCWZHHBLMJN-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.77
Rot. Bonds3

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

5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione (PubChem CID 157385959) has the molecular formula C22H12F5N3O2S and a molecular weight of 477.41 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
PubChem CID157385959
Molecular FormulaC22H12F5N3O2S
Molecular Weight477.41 g/mol
Exact Mass477.06
IUPAC Name5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3c(c2)N=CC3)C1c1c(F)cc(-c2csc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C22H12F5N3O2S/c23-14-5-11(12-7-17(33-9-12)22(25,26)27)6-15(24)18(14)19-20(31)29-21(32)30(19)13-2-1-10-3-4-28-16(10)8-13/h1-2,4-9,19H,3H2,(H,29,31,32)
InChIKeyRABQCWZHHBLMJN-UHFFFAOYSA-N
XLogP5.77
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione 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 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione (CID 157385959) is 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[2,6-difluoro-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)C1c1c(F)cc(-c2csc(C(F)(F)F)c2)cc1F.
What is the InChIKey of 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
The InChIKey is RABQCWZHHBLMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F5N3O2S/c23-14-5-11(12-7-17(33-9-12)22(25,26)27)6-15(24)18(14)19-20(31)29-21(32)30(19)13-2-1-10-3-4-28-16(10)8-13/h1-2,4-9,19H,3H2,(H,29,31,32).
What are the key properties of 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione has a molecular weight of 477.41 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 157385959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).