ethane;5-(ethoxymethyl)-1H-imidazole

C8H16N2O — CID 176980020

IUPACethane;5-(ethoxymethyl)-1H-imidazole
SMILESCC.CCOCc1cnc[nH]1
InChIInChI=1S/C6H10N2O.C2H6/c1-2-9-4-6-3-7-5-8-6;1-2/h3,5H,2,4H2,1H3,(H,7,8);1-2H3
InChIKeyYKCAPPPVYDXEMG-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.97
Rot. Bonds3

About ethane;5-(ethoxymethyl)-1H-imidazole

ethane;5-(ethoxymethyl)-1H-imidazole (PubChem CID 176980020) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethane;5-(ethoxymethyl)-1H-imidazole.

Molecular Properties

Compound Nameethane;5-(ethoxymethyl)-1H-imidazole
PubChem CID176980020
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethane;5-(ethoxymethyl)-1H-imidazole
SMILESCC.CCOCc1cnc[nH]1
InChIInChI=1S/C6H10N2O.C2H6/c1-2-9-4-6-3-7-5-8-6;1-2/h3,5H,2,4H2,1H3,(H,7,8);1-2H3
InChIKeyYKCAPPPVYDXEMG-UHFFFAOYSA-N
XLogP1.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
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ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of ethane;5-(ethoxymethyl)-1H-imidazole?
The IUPAC name of ethane;5-(ethoxymethyl)-1H-imidazole (CID 176980020) is ethane;5-(ethoxymethyl)-1H-imidazole.
What is the SMILES notation for ethane;5-(ethoxymethyl)-1H-imidazole?
The canonical SMILES for ethane;5-(ethoxymethyl)-1H-imidazole is CC.CCOCc1cnc[nH]1.
What is the InChIKey of ethane;5-(ethoxymethyl)-1H-imidazole?
The InChIKey is YKCAPPPVYDXEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2H6/c1-2-9-4-6-3-7-5-8-6;1-2/h3,5H,2,4H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;5-(ethoxymethyl)-1H-imidazole?
ethane;5-(ethoxymethyl)-1H-imidazole has a molecular weight of 156.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(ethoxymethyl)-1H-imidazole is sourced from PubChem (CID 176980020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).