4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one

C6H10N2O2S — CID 90737377

IUPAC4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one
SMILESCCCn1c(O)c(S)[nH]c1=O
InChIInChI=1S/C6H10N2O2S/c1-2-3-8-5(9)4(11)7-6(8)10/h9,11H,2-3H2,1H3,(H,7,10)
InChIKeyXKMYKRBLUVKMAK-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.58
Rot. Bonds2

About 4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one

4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one (PubChem CID 90737377) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one
PubChem CID90737377
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one
SMILESCCCn1c(O)c(S)[nH]c1=O
InChIInChI=1S/C6H10N2O2S/c1-2-3-8-5(9)4(11)7-6(8)10/h9,11H,2-3H2,1H3,(H,7,10)
InChIKeyXKMYKRBLUVKMAK-UHFFFAOYSA-N
XLogP0.58
TPSA58.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione
CID 143198269
4,5-dimethyl-3-propyl-1H-imidazol-2-one
CID 131155621
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide
CID 66522821
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483
3-methyl-5-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione
CID 57306637
3,5-diethyl-4-hydroxy-1H-imidazol-2-one
CID 54554662
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
6-tert-butyl-1-propylpyrimidine-2,4-dione
CID 121206645
1-hexyl-1,3,5-triazinane-2,4,6-trione;isocyanic acid
CID 172765496

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one?
The IUPAC name of 4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one (CID 90737377) is 4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one is CCCn1c(O)c(S)[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one?
The InChIKey is XKMYKRBLUVKMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-2-3-8-5(9)4(11)7-6(8)10/h9,11H,2-3H2,1H3,(H,7,10).
What are the key properties of 4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one?
4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one has a molecular weight of 174.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one is sourced from PubChem (CID 90737377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).