7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane

C17H21N3O — CID 110138213

IUPAC7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
SMILESc1ccc(CC2CC3(CO2)CN(Cc2ncc[nH]2)C3)cc1
InChIInChI=1S/C17H21N3O/c1-2-4-14(5-3-1)8-15-9-17(13-21-15)11-20(12-17)10-16-18-6-7-19-16/h1-7,15H,8-13H2,(H,18,19)
InChIKeyAMPUAEAHYXKTCL-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.24
Rot. Bonds4

About 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane

7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane (PubChem CID 110138213) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
PubChem CID110138213
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
SMILESc1ccc(CC2CC3(CO2)CN(Cc2ncc[nH]2)C3)cc1
InChIInChI=1S/C17H21N3O/c1-2-4-14(5-3-1)8-15-9-17(13-21-15)11-20(12-17)10-16-18-6-7-19-16/h1-7,15H,8-13H2,(H,18,19)
InChIKeyAMPUAEAHYXKTCL-UHFFFAOYSA-N
XLogP2.24
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane 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 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane (CID 110138213) is 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane is c1ccc(CC2CC3(CO2)CN(Cc2ncc[nH]2)C3)cc1.
What is the InChIKey of 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is AMPUAEAHYXKTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-4-14(5-3-1)8-15-9-17(13-21-15)11-20(12-17)10-16-18-6-7-19-16/h1-7,15H,8-13H2,(H,18,19).
What are the key properties of 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane?
7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 283.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 110138213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).