2-ethyl-1-methyl-5-methylidene-4H-imidazole

C7H12N2 — CID 67476715

IUPAC2-ethyl-1-methyl-5-methylidene-4H-imidazole
SMILESC=C1CN=C(CC)N1C
InChIInChI=1S/C7H12N2/c1-4-7-8-5-6(2)9(7)3/h2,4-5H2,1,3H3
InChIKeyLLPYRTOIALCZBO-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds1

About 2-ethyl-1-methyl-5-methylidene-4H-imidazole

2-ethyl-1-methyl-5-methylidene-4H-imidazole (PubChem CID 67476715) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-ethyl-1-methyl-5-methylidene-4H-imidazole.

Molecular Properties

Compound Name2-ethyl-1-methyl-5-methylidene-4H-imidazole
PubChem CID67476715
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-ethyl-1-methyl-5-methylidene-4H-imidazole
SMILESC=C1CN=C(CC)N1C
InChIInChI=1S/C7H12N2/c1-4-7-8-5-6(2)9(7)3/h2,4-5H2,1,3H3
InChIKeyLLPYRTOIALCZBO-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-5-methylidene-4H-imidazole?
The IUPAC name of 2-ethyl-1-methyl-5-methylidene-4H-imidazole (CID 67476715) is 2-ethyl-1-methyl-5-methylidene-4H-imidazole.
What is the SMILES notation for 2-ethyl-1-methyl-5-methylidene-4H-imidazole?
The canonical SMILES for 2-ethyl-1-methyl-5-methylidene-4H-imidazole is C=C1CN=C(CC)N1C.
What is the InChIKey of 2-ethyl-1-methyl-5-methylidene-4H-imidazole?
The InChIKey is LLPYRTOIALCZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7-8-5-6(2)9(7)3/h2,4-5H2,1,3H3.
What are the key properties of 2-ethyl-1-methyl-5-methylidene-4H-imidazole?
2-ethyl-1-methyl-5-methylidene-4H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-5-methylidene-4H-imidazole is sourced from PubChem (CID 67476715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).