ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole

C12H22N2O — CID 164857993

IUPACethane;4-methyl-1-(oxan-2-ylmethyl)imidazole
SMILESCC.Cc1cn(CC2CCCCO2)cn1
InChIInChI=1S/C10H16N2O.C2H6/c1-9-6-12(8-11-9)7-10-4-2-3-5-13-10;1-2/h6,8,10H,2-5,7H2,1H3;1-2H3
InChIKeyLFHQKPDLBRFRQT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.79
Rot. Bonds2

About ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole

ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole (PubChem CID 164857993) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole.

Molecular Properties

Compound Nameethane;4-methyl-1-(oxan-2-ylmethyl)imidazole
PubChem CID164857993
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameethane;4-methyl-1-(oxan-2-ylmethyl)imidazole
SMILESCC.Cc1cn(CC2CCCCO2)cn1
InChIInChI=1S/C10H16N2O.C2H6/c1-9-6-12(8-11-9)7-10-4-2-3-5-13-10;1-2/h6,8,10H,2-5,7H2,1H3;1-2H3
InChIKeyLFHQKPDLBRFRQT-UHFFFAOYSA-N
XLogP2.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrazine
CID 45184068
3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidine
CID 91911381
2-Chloro-5-methyl-1-(oxan-2-yl)imidazole
CID 83678618
4-[(3-Propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56864764
(1S*,2R*)-2-[[(1-isopropyl-1H-imidazol-5-yl)methyl](methyl)amino]cyclohexanol
CID 74245680
4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 90648579
N-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 91776525
9-[(1-isobutyl-1H-imidazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91832513
2-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-9-oxa-2-azaspiro[5.5]undecane
CID 91833468
(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
CID 95553389
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 98323777
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 124753447

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole?
The IUPAC name of ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole (CID 164857993) is ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole.
What is the SMILES notation for ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole?
The canonical SMILES for ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole is CC.Cc1cn(CC2CCCCO2)cn1.
What is the InChIKey of ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole?
The InChIKey is LFHQKPDLBRFRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C2H6/c1-9-6-12(8-11-9)7-10-4-2-3-5-13-10;1-2/h6,8,10H,2-5,7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole?
ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole has a molecular weight of 210.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(oxan-2-ylmethyl)imidazole is sourced from PubChem (CID 164857993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).