1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole

C12H18N4 — CID 159895967

IUPAC1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole
SMILESC=Cn1ccnc1C.CCn1ccnc1C
InChIInChI=1S/C6H10N2.C6H8N2/c2*1-3-8-5-4-7-6(8)2/h4-5H,3H2,1-2H3;3-5H,1H2,2H3
InChIKeyNVIRUUPXYMZCLW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.50
Rot. Bonds2

About 1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole

1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole (PubChem CID 159895967) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole.

Molecular Properties

Compound Name1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole
PubChem CID159895967
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole
SMILESC=Cn1ccnc1C.CCn1ccnc1C
InChIInChI=1S/C6H10N2.C6H8N2/c2*1-3-8-5-4-7-6(8)2/h4-5H,3H2,1-2H3;3-5H,1H2,2H3
InChIKeyNVIRUUPXYMZCLW-UHFFFAOYSA-N
XLogP2.50
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole?
The IUPAC name of 1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole (CID 159895967) is 1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole.
What is the SMILES notation for 1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole?
The canonical SMILES for 1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole is C=Cn1ccnc1C.CCn1ccnc1C.
What is the InChIKey of 1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole?
The InChIKey is NVIRUUPXYMZCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C6H8N2/c2*1-3-8-5-4-7-6(8)2/h4-5H,3H2,1-2H3;3-5H,1H2,2H3.
What are the key properties of 1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole?
1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole has a molecular weight of 218.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole is sourced from PubChem (CID 159895967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).