4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one

C10H8F3N3OS — CID 79961916

IUPAC4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)18-6-3-1-5(2-4-6)7-8(14)16-9(17)15-7/h1-4,7H,(H3,14,15,16,17)
InChIKeyLLXJMIVMVQEYDH-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.42
Rot. Bonds2

About 4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one

4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one (PubChem CID 79961916) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one
PubChem CID79961916
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)18-6-3-1-5(2-4-6)7-8(14)16-9(17)15-7/h1-4,7H,(H3,14,15,16,17)
InChIKeyLLXJMIVMVQEYDH-UHFFFAOYSA-N
XLogP2.42
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one (CID 79961916) is 4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one is NC1=NC(=O)NC1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one?
The InChIKey is LLXJMIVMVQEYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c11-10(12,13)18-6-3-1-5(2-4-6)7-8(14)16-9(17)15-7/h1-4,7H,(H3,14,15,16,17).
What are the key properties of 4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one?
4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one has a molecular weight of 275.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(trifluoromethylsulfanyl)phenyl]-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79961916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).