5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one

C13H12F3N3OS — CID 79961903

IUPAC5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3OS/c14-13(15,16)21-9-5-1-7(2-6-9)10-11(17)18-12(20)19(10)8-3-4-8/h1-2,5-6,8,10H,3-4H2,(H2,17,18,20)
InChIKeyAMRQOHZRDQVCCE-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.29
Rot. Bonds3

About 5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one

5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one (PubChem CID 79961903) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one
PubChem CID79961903
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3OS/c14-13(15,16)21-9-5-1-7(2-6-9)10-11(17)18-12(20)19(10)8-3-4-8/h1-2,5-6,8,10H,3-4H2,(H2,17,18,20)
InChIKeyAMRQOHZRDQVCCE-UHFFFAOYSA-N
XLogP3.29
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one (CID 79961903) is 5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one is NC1=NC(=O)N(C2CC2)C1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one?
The InChIKey is AMRQOHZRDQVCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c14-13(15,16)21-9-5-1-7(2-6-9)10-11(17)18-12(20)19(10)8-3-4-8/h1-2,5-6,8,10H,3-4H2,(H2,17,18,20).
What are the key properties of 5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one has a molecular weight of 315.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-imidazol-2-one is sourced from PubChem (CID 79961903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).