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

C10H18N4O2 — CID 79960102

IUPAC2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C10H18N4O2/c1-6(2)5-14-7(4-8(15)12-3)9(11)13-10(14)16/h6-7H,4-5H2,1-3H3,(H,12,15)(H2,11,13,16)
InChIKeyYXDUSVLXMXPARY-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.06
Rot. Bonds4

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

2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide (PubChem CID 79960102) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide
PubChem CID79960102
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C10H18N4O2/c1-6(2)5-14-7(4-8(15)12-3)9(11)13-10(14)16/h6-7H,4-5H2,1-3H3,(H,12,15)(H2,11,13,16)
InChIKeyYXDUSVLXMXPARY-UHFFFAOYSA-N
XLogP-0.06
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.06
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-methylacetamide?
The IUPAC name of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide (CID 79960102) is 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide is CNC(=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-methylacetamide?
The InChIKey is YXDUSVLXMXPARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)5-14-7(4-8(15)12-3)9(11)13-10(14)16/h6-7H,4-5H2,1-3H3,(H,12,15)(H2,11,13,16).
What are the key properties of 2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide?
2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N-methylacetamide has a molecular weight of 226.28 g/mol, XLogP of -0.06, 4 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-methylacetamide is sourced from PubChem (CID 79960102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).