3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one

C17H15F2N3OS — CID 54112425

IUPAC3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
SMILESCSC1=NC(C)(c2ccc(F)cc2F)C(=O)N1Nc1ccccc1
InChIInChI=1S/C17H15F2N3OS/c1-17(13-9-8-11(18)10-14(13)19)15(23)22(16(20-17)24-2)21-12-6-4-3-5-7-12/h3-10,21H,1-2H3
InChIKeyNIAKMIPKJCTNJN-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.77
Rot. Bonds3

About 3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one

3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one (PubChem CID 54112425) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one.

Molecular Properties

Compound Name3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
PubChem CID54112425
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC Name3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
SMILESCSC1=NC(C)(c2ccc(F)cc2F)C(=O)N1Nc1ccccc1
InChIInChI=1S/C17H15F2N3OS/c1-17(13-9-8-11(18)10-14(13)19)15(23)22(16(20-17)24-2)21-12-6-4-3-5-7-12/h3-10,21H,1-2H3
InChIKeyNIAKMIPKJCTNJN-UHFFFAOYSA-N
XLogP3.77
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
The IUPAC name of 3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one (CID 54112425) is 3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one.
What is the SMILES notation for 3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
The canonical SMILES for 3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one is CSC1=NC(C)(c2ccc(F)cc2F)C(=O)N1Nc1ccccc1.
What is the InChIKey of 3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
The InChIKey is NIAKMIPKJCTNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c1-17(13-9-8-11(18)10-14(13)19)15(23)22(16(20-17)24-2)21-12-6-4-3-5-7-12/h3-10,21H,1-2H3.
What are the key properties of 3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one has a molecular weight of 347.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-(2,4-difluorophenyl)-5-methyl-2-methylsulfanylimidazol-4-one is sourced from PubChem (CID 54112425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).