2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine

C10H9F2N3S — CID 4210725

IUPAC2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine
SMILESNn1cc(-c2ccccc2)nc1SC(F)F
InChIInChI=1S/C10H9F2N3S/c11-9(12)16-10-14-8(6-15(10)13)7-4-2-1-3-5-7/h1-6,9H,13H2
InChIKeyOHSHCFGEOXEVAJ-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.58
Rot. Bonds3

About 2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine

2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine (PubChem CID 4210725) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine
PubChem CID4210725
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine
SMILESNn1cc(-c2ccccc2)nc1SC(F)F
InChIInChI=1S/C10H9F2N3S/c11-9(12)16-10-14-8(6-15(10)13)7-4-2-1-3-5-7/h1-6,9H,13H2
InChIKeyOHSHCFGEOXEVAJ-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine?
The IUPAC name of 2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine (CID 4210725) is 2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine?
The canonical SMILES for 2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine is Nn1cc(-c2ccccc2)nc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine?
The InChIKey is OHSHCFGEOXEVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c11-9(12)16-10-14-8(6-15(10)13)7-4-2-1-3-5-7/h1-6,9H,13H2.
What are the key properties of 2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine?
2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine has a molecular weight of 241.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-4-phenylimidazol-1-amine is sourced from PubChem (CID 4210725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).