4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide

C18H17N3O2S — CID 60563637

IUPAC4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-11-19-18(23)21(12)15-7-3-13(4-8-15)17(22)20-14-5-9-16(24-2)10-6-14/h3-11H,1-2H3,(H,19,23)(H,20,22)
InChIKeyNFOVFVNRAZQSDR-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.45
Rot. Bonds4

About 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide

4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 60563637) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide
PubChem CID60563637
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-11-19-18(23)21(12)15-7-3-13(4-8-15)17(22)20-14-5-9-16(24-2)10-6-14/h3-11H,1-2H3,(H,19,23)(H,20,22)
InChIKeyNFOVFVNRAZQSDR-UHFFFAOYSA-N
XLogP3.45
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
CID 55984022
4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 78831513
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one
CID 117365072
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
N-(2,3-dihydro-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 79217122
4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 9180228
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
methyl 4-[[3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137421
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide (CID 60563637) is 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide is CSc1ccc(NC(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)cc1.
What is the InChIKey of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is NFOVFVNRAZQSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-11-19-18(23)21(12)15-7-3-13(4-8-15)17(22)20-14-5-9-16(24-2)10-6-14/h3-11H,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide?
4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 60563637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).