5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole

C13H21N3O — CID 114120912

IUPAC5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole
SMILESCOC1CC(n2cncc2C2CNC2)C1(C)C
InChIInChI=1S/C13H21N3O/c1-13(2)11(4-12(13)17-3)16-8-15-7-10(16)9-5-14-6-9/h7-9,11-12,14H,4-6H2,1-3H3
InChIKeyTUSFOVOVPACZRX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.56
Rot. Bonds3

About 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole

5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole (PubChem CID 114120912) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole
PubChem CID114120912
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole
SMILESCOC1CC(n2cncc2C2CNC2)C1(C)C
InChIInChI=1S/C13H21N3O/c1-13(2)11(4-12(13)17-3)16-8-15-7-10(16)9-5-14-6-9/h7-9,11-12,14H,4-6H2,1-3H3
InChIKeyTUSFOVOVPACZRX-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane
CID 114720708
5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole
CID 114719037
4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine
CID 114722747
5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole
CID 114716743
(1R)-1-[3-(3-ethoxy-2,2-dimethylcyclobutyl)imidazol-4-yl]ethanamine
CID 114120917
5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole
CID 114721186
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
5-(azetidin-3-yl)-1-pentylimidazole
CID 114716245
3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114706230
5-(azetidin-3-yl)-1-hexan-3-ylimidazole
CID 114719856
3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine
CID 107587235
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole (CID 114120912) is 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole is COC1CC(n2cncc2C2CNC2)C1(C)C.
What is the InChIKey of 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole?
The InChIKey is TUSFOVOVPACZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2)11(4-12(13)17-3)16-8-15-7-10(16)9-5-14-6-9/h7-9,11-12,14H,4-6H2,1-3H3.
What are the key properties of 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole?
5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole has a molecular weight of 235.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole is sourced from PubChem (CID 114120912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).