1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one

C16H15N3OS — CID 18323163

IUPAC1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one
SMILESCSC1=NC(c2ccccc2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C16H15N3OS/c1-21-16-17-14(12-8-4-2-5-9-12)15(20)19(16)18-13-10-6-3-7-11-13/h2-11,14,18H,1H3
InChIKeyLNUBBKFSESILNF-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.32
Rot. Bonds3

About 1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one

1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one (PubChem CID 18323163) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one.

Molecular Properties

Compound Name1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one
PubChem CID18323163
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one
SMILESCSC1=NC(c2ccccc2)C(=O)N1Nc1ccccc1
InChIInChI=1S/C16H15N3OS/c1-21-16-17-14(12-8-4-2-5-9-12)15(20)19(16)18-13-10-6-3-7-11-13/h2-11,14,18H,1H3
InChIKeyLNUBBKFSESILNF-UHFFFAOYSA-N
XLogP3.32
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one?
The IUPAC name of 1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one (CID 18323163) is 1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one.
What is the SMILES notation for 1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one?
The canonical SMILES for 1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one is CSC1=NC(c2ccccc2)C(=O)N1Nc1ccccc1.
What is the InChIKey of 1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one?
The InChIKey is LNUBBKFSESILNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-21-16-17-14(12-8-4-2-5-9-12)15(20)19(16)18-13-10-6-3-7-11-13/h2-11,14,18H,1H3.
What are the key properties of 1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one?
1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one has a molecular weight of 297.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-2-methylsulfanyl-4-phenyl-4H-imidazol-5-one is sourced from PubChem (CID 18323163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).