5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one

C14H19N3O — CID 79961437

IUPAC5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-10(2)9-17-12(13(15)16-14(17)18)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,16,18)
InChIKeyUWABLYGOYPSEHA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.05
Rot. Bonds4

About 5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one

5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 79961437) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID79961437
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-10(2)9-17-12(13(15)16-14(17)18)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,16,18)
InChIKeyUWABLYGOYPSEHA-UHFFFAOYSA-N
XLogP2.05
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79960297
5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79961059
5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one
CID 113254024
2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide
CID 79959476
methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate
CID 79960504
2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide
CID 79967216
5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
CID 79960510
5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242743
3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 20676238
5-amino-4-(2-methylpropyl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 79967249
5-amino-4-(5-bromo-2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79961972
5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 106819343

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one (CID 79961437) is 5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1Cc1ccccc1.
What is the InChIKey of 5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is UWABLYGOYPSEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)9-17-12(13(15)16-14(17)18)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79961437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).