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

C12H20N4O2 — CID 79959655

IUPAC2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CC1C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)15-9(17)6-8-10(13)14-11(18)16(8)7-4-5-7/h7-8H,4-6H2,1-3H3,(H,15,17)(H2,13,14,18)
InChIKeyXKRUFROHJJIVPU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.62
Rot. Bonds3

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

2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide (PubChem CID 79959655) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide
PubChem CID79959655
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CC1C(N)=NC(=O)N1C1CC1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)15-9(17)6-8-10(13)14-11(18)16(8)7-4-5-7/h7-8H,4-6H2,1-3H3,(H,15,17)(H2,13,14,18)
InChIKeyXKRUFROHJJIVPU-UHFFFAOYSA-N
XLogP0.62
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.62
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-tert-butylacetamide?
The IUPAC name of 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide (CID 79959655) is 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide is CC(C)(C)NC(=O)CC1C(N)=NC(=O)N1C1CC1.
What is the InChIKey of 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide?
The InChIKey is XKRUFROHJJIVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)15-9(17)6-8-10(13)14-11(18)16(8)7-4-5-7/h7-8H,4-6H2,1-3H3,(H,15,17)(H2,13,14,18).
What are the key properties of 2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide?
2-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)-N-tert-butylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.62, 3 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-tert-butylacetamide is sourced from PubChem (CID 79959655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).