1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole

C9H15N3O — CID 106938738

IUPAC1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole
SMILESCn1cncc1COC1(C)CNC1
InChIInChI=1S/C9H15N3O/c1-9(5-11-6-9)13-4-8-3-10-7-12(8)2/h3,7,11H,4-6H2,1-2H3
InChIKeyBAMDPZMYFJCRRN-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.30
Rot. Bonds3

About 1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole

1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole (PubChem CID 106938738) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole.

Molecular Properties

Compound Name1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole
PubChem CID106938738
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole
SMILESCn1cncc1COC1(C)CNC1
InChIInChI=1S/C9H15N3O/c1-9(5-11-6-9)13-4-8-3-10-7-12(8)2/h3,7,11H,4-6H2,1-2H3
InChIKeyBAMDPZMYFJCRRN-UHFFFAOYSA-N
XLogP0.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole?
The IUPAC name of 1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole (CID 106938738) is 1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole.
What is the SMILES notation for 1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole?
The canonical SMILES for 1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole is Cn1cncc1COC1(C)CNC1.
What is the InChIKey of 1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole?
The InChIKey is BAMDPZMYFJCRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(5-11-6-9)13-4-8-3-10-7-12(8)2/h3,7,11H,4-6H2,1-2H3.
What are the key properties of 1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole?
1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole has a molecular weight of 181.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole is sourced from PubChem (CID 106938738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).