3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one

C17H16BrN3OS — CID 15376190

IUPAC3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
SMILESCSC1=NC(C)(c2ccc(Br)cc2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C17H16BrN3OS/c1-17(12-8-10-13(18)11-9-12)15(22)21(16(19-17)23-2)20-14-6-4-3-5-7-14/h3-11,20H,1-2H3
InChIKeyIGACLISGRZCWCY-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.25
Rot. Bonds3

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

3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one (PubChem CID 15376190) has the molecular formula C17H16BrN3OS and a molecular weight of 390.31 g/mol. Its IUPAC name is 3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one.

Molecular Properties

Compound Name3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
PubChem CID15376190
Molecular FormulaC17H16BrN3OS
Molecular Weight390.31 g/mol
Exact Mass389.02
IUPAC Name3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one
SMILESCSC1=NC(C)(c2ccc(Br)cc2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C17H16BrN3OS/c1-17(12-8-10-13(18)11-9-12)15(22)21(16(19-17)23-2)20-14-6-4-3-5-7-14/h3-11,20H,1-2H3
InChIKeyIGACLISGRZCWCY-UHFFFAOYSA-N
XLogP4.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
The IUPAC name of 3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one (CID 15376190) is 3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one.
What is the SMILES notation for 3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
The canonical SMILES for 3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one is CSC1=NC(C)(c2ccc(Br)cc2)C(=O)N1Nc1ccccc1.
What is the InChIKey of 3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
The InChIKey is IGACLISGRZCWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3OS/c1-17(12-8-10-13(18)11-9-12)15(22)21(16(19-17)23-2)20-14-6-4-3-5-7-14/h3-11,20H,1-2H3.
What are the key properties of 3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one?
3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one has a molecular weight of 390.31 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-(4-bromophenyl)-5-methyl-2-methylsulfanylimidazol-4-one is sourced from PubChem (CID 15376190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).