3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide

C16H19FN4O2S — CID 24642187

IUPAC3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cnc(SC)n1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN4O2S/c1-3-8-18-14(22)10-19-15(23)13-9-20-16(24-2)21(13)12-6-4-11(17)5-7-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyRNSPKNNHBQEOBL-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.99
Rot. Bonds7

About 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide

3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide (PubChem CID 24642187) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide
PubChem CID24642187
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cnc(SC)n1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN4O2S/c1-3-8-18-14(22)10-19-15(23)13-9-20-16(24-2)21(13)12-6-4-11(17)5-7-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyRNSPKNNHBQEOBL-UHFFFAOYSA-N
XLogP1.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55973799
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55693544
3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-(pyrimidin-2-ylamino)ethyl]imidazole-4-carboxamide
CID 55647157
3-(4-fluorophenyl)-2-methylsulfanyl-N-propan-2-ylimidazole-4-carboxamide
CID 18124051
3-(4-fluorophenyl)-N'-(3-methylbutanoyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 24644526
N-(4-acetamidophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 34316971
N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 30532232
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 18124114
N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide
CID 78796401
3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide
CID 78809507
N-[3-(benzimidazol-1-yl)propyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 24643882
3-(4-fluorophenyl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-methylsulfanylimidazole-4-carboxamide
CID 55671983

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide (CID 24642187) is 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide is CCCNC(=O)CNC(=O)c1cnc(SC)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide?
The InChIKey is RNSPKNNHBQEOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-3-8-18-14(22)10-19-15(23)13-9-20-16(24-2)21(13)12-6-4-11(17)5-7-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide?
3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 24642187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).