4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole

C9H16N2O — CID 89409824

IUPAC4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole
SMILESCC1CN(C2CCOCC2)C=N1
InChIInChI=1S/C9H16N2O/c1-8-6-11(7-10-8)9-2-4-12-5-3-9/h7-9H,2-6H2,1H3
InChIKeyDVDNSCJGHFJOJM-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.90
Rot. Bonds1

About 4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole

4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole (PubChem CID 89409824) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole
PubChem CID89409824
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole
SMILESCC1CN(C2CCOCC2)C=N1
InChIInChI=1S/C9H16N2O/c1-8-6-11(7-10-8)9-2-4-12-5-3-9/h7-9H,2-6H2,1H3
InChIKeyDVDNSCJGHFJOJM-UHFFFAOYSA-N
XLogP0.90
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole?
The IUPAC name of 4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole (CID 89409824) is 4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole?
The canonical SMILES for 4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole is CC1CN(C2CCOCC2)C=N1.
What is the InChIKey of 4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole?
The InChIKey is DVDNSCJGHFJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-6-11(7-10-8)9-2-4-12-5-3-9/h7-9H,2-6H2,1H3.
What are the key properties of 4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole?
4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole has a molecular weight of 168.24 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-4-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 89409824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).