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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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).