1-ethylimidazole;5-methyl-1H-imidazole

C9H14N4 — CID 159971219

IUPAC1-ethylimidazole;5-methyl-1H-imidazole
SMILESCCn1ccnc1.Cc1cnc[nH]1
InChIInChI=1S/C5H8N2.C4H6N2/c1-2-7-4-3-6-5-7;1-4-2-5-3-6-4/h3-5H,2H2,1H3;2-3H,1H3,(H,5,6)
InChIKeyOEOLJYUICPETNU-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.62
Rot. Bonds1

About 1-ethylimidazole;5-methyl-1H-imidazole

1-ethylimidazole;5-methyl-1H-imidazole (PubChem CID 159971219) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-ethylimidazole;5-methyl-1H-imidazole.

Molecular Properties

Compound Name1-ethylimidazole;5-methyl-1H-imidazole
PubChem CID159971219
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-ethylimidazole;5-methyl-1H-imidazole
SMILESCCn1ccnc1.Cc1cnc[nH]1
InChIInChI=1S/C5H8N2.C4H6N2/c1-2-7-4-3-6-5-7;1-4-2-5-3-6-4/h3-5H,2H2,1H3;2-3H,1H3,(H,5,6)
InChIKeyOEOLJYUICPETNU-UHFFFAOYSA-N
XLogP1.62
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylimidazole;5-methyl-1H-imidazole
CID 70518554
copper;1-ethylimidazole
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1-ethylimidazole;octane
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N-ethylethanamine;1-ethylimidazole;dihydrochloride
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cobalt(2+);tetrakis(1-ethylimidazole);diisothiocyanate
CID 139070623
1-butylimidazole;1-ethylimidazole;1-propylimidazole
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1-bromopropan-2-one;5-methyl-1H-imidazole
CID 157112704
5-methyl-1H-imidazole;5-methyl-3H-pyrrole
CID 160657392
1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole
CID 53322953
bis(1-ethylimidazole);tetrakis(3-ethyl-1H-imidazol-3-ium);molybdenum;(oxygen(2-))
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CID 174695765

Frequently Asked Questions

What is the IUPAC name of 1-ethylimidazole;5-methyl-1H-imidazole?
The IUPAC name of 1-ethylimidazole;5-methyl-1H-imidazole (CID 159971219) is 1-ethylimidazole;5-methyl-1H-imidazole.
What is the SMILES notation for 1-ethylimidazole;5-methyl-1H-imidazole?
The canonical SMILES for 1-ethylimidazole;5-methyl-1H-imidazole is CCn1ccnc1.Cc1cnc[nH]1.
What is the InChIKey of 1-ethylimidazole;5-methyl-1H-imidazole?
The InChIKey is OEOLJYUICPETNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C4H6N2/c1-2-7-4-3-6-5-7;1-4-2-5-3-6-4/h3-5H,2H2,1H3;2-3H,1H3,(H,5,6).
What are the key properties of 1-ethylimidazole;5-methyl-1H-imidazole?
1-ethylimidazole;5-methyl-1H-imidazole has a molecular weight of 178.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimidazole;5-methyl-1H-imidazole is sourced from PubChem (CID 159971219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).