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

C12H21N3O2 — CID 79959478

IUPAC5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1C1CCCOC1
InChIInChI=1S/C12H21N3O2/c1-8(2)6-15-10(11(13)14-12(15)16)9-4-3-5-17-7-9/h8-10H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyPCRMBNWTYCAPSF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.23
Rot. Bonds3

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

5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one (PubChem CID 79959478) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one
PubChem CID79959478
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1C1CCCOC1
InChIInChI=1S/C12H21N3O2/c1-8(2)6-15-10(11(13)14-12(15)16)9-4-3-5-17-7-9/h8-10H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyPCRMBNWTYCAPSF-UHFFFAOYSA-N
XLogP1.23
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one (CID 79959478) is 5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1C1CCCOC1.
What is the InChIKey of 5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one?
The InChIKey is PCRMBNWTYCAPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)6-15-10(11(13)14-12(15)16)9-4-3-5-17-7-9/h8-10H,3-7H2,1-2H3,(H2,13,14,16).
What are the key properties of 5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one?
5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one has a molecular weight of 239.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methylpropyl)-4-(oxan-3-yl)-4H-imidazol-2-one is sourced from PubChem (CID 79959478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).