5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole

C10H17N3O — CID 131025859

IUPAC5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole
SMILESCCc1cnc(N2CC(C)(OC)C2)[nH]1
InChIInChI=1S/C10H17N3O/c1-4-8-5-11-9(12-8)13-6-10(2,7-13)14-3/h5H,4,6-7H2,1-3H3,(H,11,12)
InChIKeyWLKLULWYRFALFD-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.20
Rot. Bonds3

About 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole

5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole (PubChem CID 131025859) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole
PubChem CID131025859
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole
SMILESCCc1cnc(N2CC(C)(OC)C2)[nH]1
InChIInChI=1S/C10H17N3O/c1-4-8-5-11-9(12-8)13-6-10(2,7-13)14-3/h5H,4,6-7H2,1-3H3,(H,11,12)
InChIKeyWLKLULWYRFALFD-UHFFFAOYSA-N
XLogP1.20
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole?
The IUPAC name of 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole (CID 131025859) is 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole.
What is the SMILES notation for 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole?
The canonical SMILES for 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole is CCc1cnc(N2CC(C)(OC)C2)[nH]1.
What is the InChIKey of 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole?
The InChIKey is WLKLULWYRFALFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-8-5-11-9(12-8)13-6-10(2,7-13)14-3/h5H,4,6-7H2,1-3H3,(H,11,12).
What are the key properties of 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole?
5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole has a molecular weight of 195.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole is sourced from PubChem (CID 131025859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).