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

C15H19N3O2 — CID 82838803

IUPAC5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one
SMILESCC1CCC(C2C(N)=NC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C15H19N3O2/c1-10-7-8-12(20-10)13-14(16)17-15(19)18(13)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H2,16,17,19)
InChIKeyRRZILGJCOLBFTC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds3

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

5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one (PubChem CID 82838803) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one
PubChem CID82838803
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one
SMILESCC1CCC(C2C(N)=NC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C15H19N3O2/c1-10-7-8-12(20-10)13-14(16)17-15(19)18(13)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H2,16,17,19)
InChIKeyRRZILGJCOLBFTC-UHFFFAOYSA-N
XLogP1.92
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one
CID 79966941
1-benzyl-5-(5-methyloxolan-2-yl)-4,5-dihydroimidazol-2-amine
CID 82839109
2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide
CID 79967216
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one
CID 79973555
5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one
CID 113254024
5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one
CID 83094848
5-amino-4-benzyl-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79961437
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione
CID 11020718
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one (CID 82838803) is 5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one is CC1CCC(C2C(N)=NC(=O)N2Cc2ccccc2)O1.
What is the InChIKey of 5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one?
The InChIKey is RRZILGJCOLBFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-7-8-12(20-10)13-14(16)17-15(19)18(13)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H2,16,17,19).
What are the key properties of 5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one?
5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one is sourced from PubChem (CID 82838803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).