(4E,5E)-4,5-di(ethylidene)-1-methylimidazole

C8H12N2 — CID 130427202

IUPAC(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
SMILESC/C=c1/ncn(C)/c1=C/C
InChIInChI=1S/C8H12N2/c1-4-7-8(5-2)10(3)6-9-7/h4-6H,1-3H3/b7-4+,8-5+
InChIKeyJECUQGCYWQYEKS-NSLJXJERSA-N
MW136.20 g/mol
LogP0.02
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-1-methylimidazole

(4E,5E)-4,5-di(ethylidene)-1-methylimidazole (PubChem CID 130427202) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1-methylimidazole.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
PubChem CID130427202
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
SMILESC/C=c1/ncn(C)/c1=C/C
InChIInChI=1S/C8H12N2/c1-4-7-8(5-2)10(3)6-9-7/h4-6H,1-3H3/b7-4+,8-5+
InChIKeyJECUQGCYWQYEKS-NSLJXJERSA-N
XLogP0.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1-methylimidazole?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1-methylimidazole (CID 130427202) is (4E,5E)-4,5-di(ethylidene)-1-methylimidazole.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1-methylimidazole?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1-methylimidazole is C/C=c1/ncn(C)/c1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1-methylimidazole?
The InChIKey is JECUQGCYWQYEKS-NSLJXJERSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7-8(5-2)10(3)6-9-7/h4-6H,1-3H3/b7-4+,8-5+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1-methylimidazole?
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole has a molecular weight of 136.20 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1-methylimidazole is sourced from PubChem (CID 130427202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).