5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole

C11H18N4 — CID 114719037

IUPAC5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole
SMILESCN1CCC(n2cncc2C2CNC2)C1
InChIInChI=1S/C11H18N4/c1-14-3-2-10(7-14)15-8-13-6-11(15)9-4-12-5-9/h6,8-10,12H,2-5,7H2,1H3
InChIKeyBHXKADYTNHCUPI-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.45
Rot. Bonds2

About 5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole

5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole (PubChem CID 114719037) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole
PubChem CID114719037
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole
SMILESCN1CCC(n2cncc2C2CNC2)C1
InChIInChI=1S/C11H18N4/c1-14-3-2-10(7-14)15-8-13-6-11(15)9-4-12-5-9/h6,8-10,12H,2-5,7H2,1H3
InChIKeyBHXKADYTNHCUPI-UHFFFAOYSA-N
XLogP0.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine
CID 114722747
3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane
CID 114720708
1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole
CID 105476564
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine
CID 105495229
2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol
CID 114704961
4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 104966852
5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole
CID 114120912
4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine
CID 114704999
4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
CID 66140674
5-(azetidin-3-yl)-1-pentylimidazole
CID 114716245
3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide
CID 114702845

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole (CID 114719037) is 5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole is CN1CCC(n2cncc2C2CNC2)C1.
What is the InChIKey of 5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole?
The InChIKey is BHXKADYTNHCUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-14-3-2-10(7-14)15-8-13-6-11(15)9-4-12-5-9/h6,8-10,12H,2-5,7H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole?
5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole has a molecular weight of 206.29 g/mol, XLogP of 0.45, 2 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-(1-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114719037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).