2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide

C11H20N4O2 — CID 79960874

IUPAC2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide
SMILESCCNC(=O)CC1C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C11H20N4O2/c1-4-13-9(16)5-8-10(12)14-11(17)15(8)6-7(2)3/h7-8H,4-6H2,1-3H3,(H,13,16)(H2,12,14,17)
InChIKeyNEQDNWBERBTUPN-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.33
Rot. Bonds5

About 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide

2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide (PubChem CID 79960874) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide
PubChem CID79960874
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide
SMILESCCNC(=O)CC1C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C11H20N4O2/c1-4-13-9(16)5-8-10(12)14-11(17)15(8)6-7(2)3/h7-8H,4-6H2,1-3H3,(H,13,16)(H2,12,14,17)
InChIKeyNEQDNWBERBTUPN-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
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-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide?
The IUPAC name of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide (CID 79960874) is 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide?
The canonical SMILES for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide is CCNC(=O)CC1C(N)=NC(=O)N1CC(C)C.
What is the InChIKey of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide?
The InChIKey is NEQDNWBERBTUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-13-9(16)5-8-10(12)14-11(17)15(8)6-7(2)3/h7-8H,4-6H2,1-3H3,(H,13,16)(H2,12,14,17).
What are the key properties of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide?
2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide has a molecular weight of 240.31 g/mol, XLogP of 0.33, 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-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-ethylacetamide is sourced from PubChem (CID 79960874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).