1,5-dimethyl-2-(oxan-4-yl)imidazole

C10H16N2O — CID 123851428

IUPAC1,5-dimethyl-2-(oxan-4-yl)imidazole
SMILESCc1cnc(C2CCOCC2)n1C
InChIInChI=1S/C10H16N2O/c1-8-7-11-10(12(8)2)9-3-5-13-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyQXWJZKBUUVLCGE-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds1

About 1,5-dimethyl-2-(oxan-4-yl)imidazole

1,5-dimethyl-2-(oxan-4-yl)imidazole (PubChem CID 123851428) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,5-dimethyl-2-(oxan-4-yl)imidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-(oxan-4-yl)imidazole
PubChem CID123851428
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1,5-dimethyl-2-(oxan-4-yl)imidazole
SMILESCc1cnc(C2CCOCC2)n1C
InChIInChI=1S/C10H16N2O/c1-8-7-11-10(12(8)2)9-3-5-13-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyQXWJZKBUUVLCGE-UHFFFAOYSA-N
XLogP1.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine
CID 86820593
4-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidine
CID 90488060
3-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine
CID 90488101
2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethan-1-amine
CID 91911584
4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide
CID 91923574
1-(4-{[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]methyl}piperidin-1-YL)ethan-1-one
CID 91923921
N~4~-[2-(1-Isopropyl-5-methyl-1H-imidazol-2-YL)ethyl]tetrahydro-2H-pyran-4-carboxamide
CID 91923972
1-{4-[(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)methyl]piperidin-1-YL}ethan-1-one
CID 110198102
3-(2,5-Dimethyl-1H-imidazol-1-YL)-1-(oxane-4-carbonyl)piperidine
CID 124046303
1-Cyclopropanecarbonyl-4-{[5-methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]methyl}piperidine
CID 124047014
1-Cycloheptyl-4-{[5-methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]methyl}piperidine
CID 124047030
N,N-Diethyl-4-[5-methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine-1-carboxamide
CID 124047212

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(oxan-4-yl)imidazole?
The IUPAC name of 1,5-dimethyl-2-(oxan-4-yl)imidazole (CID 123851428) is 1,5-dimethyl-2-(oxan-4-yl)imidazole.
What is the SMILES notation for 1,5-dimethyl-2-(oxan-4-yl)imidazole?
The canonical SMILES for 1,5-dimethyl-2-(oxan-4-yl)imidazole is Cc1cnc(C2CCOCC2)n1C.
What is the InChIKey of 1,5-dimethyl-2-(oxan-4-yl)imidazole?
The InChIKey is QXWJZKBUUVLCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-7-11-10(12(8)2)9-3-5-13-6-4-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-2-(oxan-4-yl)imidazole?
1,5-dimethyl-2-(oxan-4-yl)imidazole has a molecular weight of 180.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(oxan-4-yl)imidazole is sourced from PubChem (CID 123851428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).