2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide

C11H18N4O2 — CID 79960472

IUPAC2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C11H18N4O2/c1-2-5-13-9(16)6-8-10(12)14-11(17)15(8)7-3-4-7/h7-8H,2-6H2,1H3,(H,13,16)(H2,12,14,17)
InChIKeyLJDDYPFHQWMGBI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.23
Rot. Bonds5

About 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide

2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide (PubChem CID 79960472) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide
PubChem CID79960472
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C11H18N4O2/c1-2-5-13-9(16)6-8-10(12)14-11(17)15(8)7-3-4-7/h7-8H,2-6H2,1H3,(H,13,16)(H2,12,14,17)
InChIKeyLJDDYPFHQWMGBI-UHFFFAOYSA-N
XLogP0.23
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide?
The IUPAC name of 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide (CID 79960472) is 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide is CCCNC(=O)CC1C(N)=NC(=O)N1C1CC1.
What is the InChIKey of 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide?
The InChIKey is LJDDYPFHQWMGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-5-13-9(16)6-8-10(12)14-11(17)15(8)7-3-4-7/h7-8H,2-6H2,1H3,(H,13,16)(H2,12,14,17).
What are the key properties of 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide?
2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-propylacetamide is sourced from PubChem (CID 79960472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).