5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one

C10H19N3OS — CID 103090605

IUPAC5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1CCCSC
InChIInChI=1S/C10H19N3OS/c1-3-6-13-8(5-4-7-15-2)9(11)12-10(13)14/h8H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyYYJYNUNMKWLZQG-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.70
Rot. Bonds6

About 5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one

5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one (PubChem CID 103090605) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one
PubChem CID103090605
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1CCCSC
InChIInChI=1S/C10H19N3OS/c1-3-6-13-8(5-4-7-15-2)9(11)12-10(13)14/h8H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyYYJYNUNMKWLZQG-UHFFFAOYSA-N
XLogP1.70
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one (CID 103090605) is 5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1CCCSC.
What is the InChIKey of 5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is YYJYNUNMKWLZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-6-13-8(5-4-7-15-2)9(11)12-10(13)14/h8H,3-7H2,1-2H3,(H2,11,12,14).
What are the key properties of 5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 229.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylsulfanylpropyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 103090605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).