4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine

C11H12F2N4S — CID 55011852

IUPAC4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2ccccc2SC(F)F)c(N)[nH]1
InChIInChI=1S/C11H12F2N4S/c1-6-15-9(14)10(16-6)17-7-4-2-3-5-8(7)18-11(12)13/h2-5,11,17H,14H2,1H3,(H,15,16)
InChIKeyQFXITTSUWFKZQM-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.36
Rot. Bonds4

About 4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine

4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine (PubChem CID 55011852) has the molecular formula C11H12F2N4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine
PubChem CID55011852
Molecular FormulaC11H12F2N4S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2ccccc2SC(F)F)c(N)[nH]1
InChIInChI=1S/C11H12F2N4S/c1-6-15-9(14)10(16-6)17-7-4-2-3-5-8(7)18-11(12)13/h2-5,11,17H,14H2,1H3,(H,15,16)
InChIKeyQFXITTSUWFKZQM-UHFFFAOYSA-N
XLogP3.36
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine (CID 55011852) is 4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine is Cc1nc(Nc2ccccc2SC(F)F)c(N)[nH]1.
What is the InChIKey of 4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine?
The InChIKey is QFXITTSUWFKZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4S/c1-6-15-9(14)10(16-6)17-7-4-2-3-5-8(7)18-11(12)13/h2-5,11,17H,14H2,1H3,(H,15,16).
What are the key properties of 4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine?
4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine has a molecular weight of 270.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 55011852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).