3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one

C14H16N2O2S — CID 90920142

IUPAC3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(C2CC2)c(O)n1CSCc1ccccc1
InChIInChI=1S/C14H16N2O2S/c17-13-12(11-6-7-11)15-14(18)16(13)9-19-8-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H,15,18)
InChIKeyOGYWZFYCDJWZQJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.65
Rot. Bonds5

About 3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one

3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one (PubChem CID 90920142) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one
PubChem CID90920142
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(C2CC2)c(O)n1CSCc1ccccc1
InChIInChI=1S/C14H16N2O2S/c17-13-12(11-6-7-11)15-14(18)16(13)9-19-8-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H,15,18)
InChIKeyOGYWZFYCDJWZQJ-UHFFFAOYSA-N
XLogP2.65
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one (CID 90920142) is 3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one is O=c1[nH]c(C2CC2)c(O)n1CSCc1ccccc1.
What is the InChIKey of 3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one?
The InChIKey is OGYWZFYCDJWZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13-12(11-6-7-11)15-14(18)16(13)9-19-8-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H,15,18).
What are the key properties of 3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one?
3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one has a molecular weight of 276.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 90920142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).