2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide

C11H20N4O2 — CID 79960086

IUPAC2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide
SMILESCCCN1C(=O)N=C(N)C1CC(=O)NC(C)C
InChIInChI=1S/C11H20N4O2/c1-4-5-15-8(10(12)14-11(15)17)6-9(16)13-7(2)3/h7-8H,4-6H2,1-3H3,(H,13,16)(H2,12,14,17)
InChIKeyVMMCECSDOBBURO-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.47
Rot. Bonds5

About 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide

2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide (PubChem CID 79960086) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide
PubChem CID79960086
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide
SMILESCCCN1C(=O)N=C(N)C1CC(=O)NC(C)C
InChIInChI=1S/C11H20N4O2/c1-4-5-15-8(10(12)14-11(15)17)6-9(16)13-7(2)3/h7-8H,4-6H2,1-3H3,(H,13,16)(H2,12,14,17)
InChIKeyVMMCECSDOBBURO-UHFFFAOYSA-N
XLogP0.47
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide (CID 79960086) is 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide is CCCN1C(=O)N=C(N)C1CC(=O)NC(C)C.
What is the InChIKey of 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide?
The InChIKey is VMMCECSDOBBURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-5-15-8(10(12)14-11(15)17)6-9(16)13-7(2)3/h7-8H,4-6H2,1-3H3,(H,13,16)(H2,12,14,17).
What are the key properties of 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide?
2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide has a molecular weight of 240.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 79960086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).