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

C9H17N3OS — CID 79960282

IUPAC5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1CCSC
InChIInChI=1S/C9H17N3OS/c1-3-5-12-7(4-6-14-2)8(10)11-9(12)13/h7H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyLECQGZQAZNZEOC-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.31
Rot. Bonds5

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

5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79960282) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one
PubChem CID79960282
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1CCSC
InChIInChI=1S/C9H17N3OS/c1-3-5-12-7(4-6-14-2)8(10)11-9(12)13/h7H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyLECQGZQAZNZEOC-UHFFFAOYSA-N
XLogP1.31
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one (CID 79960282) is 5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1CCSC.
What is the InChIKey of 5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is LECQGZQAZNZEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-5-12-7(4-6-14-2)8(10)11-9(12)13/h7H,3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of 5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 215.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methylsulfanylethyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79960282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).