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

C11H21N3OS — CID 103090606

IUPAC5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one
SMILESCSCCCC1C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C11H21N3OS/c1-8(2)7-14-9(5-4-6-16-3)10(12)13-11(14)15/h8-9H,4-7H2,1-3H3,(H2,12,13,15)
InChIKeyHFWAXYZRUOLTGO-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.95
Rot. Bonds6

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

5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one (PubChem CID 103090606) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one
PubChem CID103090606
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one
SMILESCSCCCC1C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C11H21N3OS/c1-8(2)7-14-9(5-4-6-16-3)10(12)13-11(14)15/h8-9H,4-7H2,1-3H3,(H2,12,13,15)
InChIKeyHFWAXYZRUOLTGO-UHFFFAOYSA-N
XLogP1.95
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.95
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-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one (CID 103090606) is 5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one is CSCCCC1C(N)=NC(=O)N1CC(C)C.
What is the InChIKey of 5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
The InChIKey is HFWAXYZRUOLTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-8(2)7-14-9(5-4-6-16-3)10(12)13-11(14)15/h8-9H,4-7H2,1-3H3,(H2,12,13,15).
What are the key properties of 5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one?
5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one has a molecular weight of 243.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methylpropyl)-4-(3-methylsulfanylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 103090606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).