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

C15H19N3O2 — CID 79966941

IUPAC5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(Cc2ccccc2)C1C1CCCOC1
InChIInChI=1S/C15H19N3O2/c16-14-13(12-7-4-8-20-10-12)18(15(19)17-14)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H2,16,17,19)
InChIKeyZCKRATJUGDYSFW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.77
Rot. Bonds3

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

5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one (PubChem CID 79966941) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one
PubChem CID79966941
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(Cc2ccccc2)C1C1CCCOC1
InChIInChI=1S/C15H19N3O2/c16-14-13(12-7-4-8-20-10-12)18(15(19)17-14)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H2,16,17,19)
InChIKeyZCKRATJUGDYSFW-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one (CID 79966941) is 5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one is NC1=NC(=O)N(Cc2ccccc2)C1C1CCCOC1.
What is the InChIKey of 5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one?
The InChIKey is ZCKRATJUGDYSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-14-13(12-7-4-8-20-10-12)18(15(19)17-14)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H2,16,17,19).
What are the key properties of 5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one?
5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.77, 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-(oxan-3-yl)-4H-imidazol-2-one is sourced from PubChem (CID 79966941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).