1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one

C14H18N2OS — CID 80581990

IUPAC1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCSc2ccccc2)c1=O
InChIInChI=1S/C14H18N2OS/c1-2-8-15-9-10-16(14(15)17)11-12-18-13-6-4-3-5-7-13/h3-7,9-10H,2,8,11-12H2,1H3
InChIKeyRTKBIOJJWFCZRH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.85
Rot. Bonds6

About 1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one

1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one (PubChem CID 80581990) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one
PubChem CID80581990
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCSc2ccccc2)c1=O
InChIInChI=1S/C14H18N2OS/c1-2-8-15-9-10-16(14(15)17)11-12-18-13-6-4-3-5-7-13/h3-7,9-10H,2,8,11-12H2,1H3
InChIKeyRTKBIOJJWFCZRH-UHFFFAOYSA-N
XLogP2.85
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(2-phenylsulfanylethyl)benzimidazol-2-one
CID 116621256
1-(2-phenylsulfanylethyl)azepane-2,7-dione
CID 112731273
1-[2-(2-methoxyphenoxy)ethyl]-3-propylimidazol-2-one
CID 116624789
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763
nickel;octylsulfanylbenzene
CID 157277722
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine
CID 79227337
5-bromo-3-methyl-1-(2-phenylsulfanylethyl)pyridin-2-one
CID 83133300
2,3,4-trimethyl-1-(2-phenylsulfanylethyl)pyrrole
CID 63927497
1-(3,3-dimethylbutyl)-3-propylimidazol-2-one
CID 116624740
1-methyl-3-(2-phenylsulfanylethyl)imidazolidin-2-one
CID 79349024
5-bromo-1-(2-phenylsulfanylethyl)pyrimidine-2,4-dione
CID 63778535
4,4-dimethyl-1,1-dioxo-2-(2-phenylsulfanylethyl)thiazetidin-3-one
CID 79887218

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one (CID 80581990) is 1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one is CCCn1ccn(CCSc2ccccc2)c1=O.
What is the InChIKey of 1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one?
The InChIKey is RTKBIOJJWFCZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-8-15-9-10-16(14(15)17)11-12-18-13-6-4-3-5-7-13/h3-7,9-10H,2,8,11-12H2,1H3.
What are the key properties of 1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one?
1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one has a molecular weight of 262.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethyl)-3-propylimidazol-2-one is sourced from PubChem (CID 80581990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).