ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole

C11H20N2 — CID 143453484

IUPACethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole
SMILESC/C=c1/nc(C)[nH]/c1=C/CC.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h5-6H,4H2,1-3H3,(H,10,11);1-2H3/b8-5+,9-6+;
InChIKeyKGDKGSVUKRXNGY-OYPDEJHISA-N
MW180.29 g/mol
LogP1.74
Rot. Bonds1

About ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole

ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole (PubChem CID 143453484) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole.

Molecular Properties

Compound Nameethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole
PubChem CID143453484
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole
SMILESC/C=c1/nc(C)[nH]/c1=C/CC.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h5-6H,4H2,1-3H3,(H,10,11);1-2H3/b8-5+,9-6+;
InChIKeyKGDKGSVUKRXNGY-OYPDEJHISA-N
XLogP1.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole?
The IUPAC name of ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole (CID 143453484) is ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole.
What is the SMILES notation for ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole?
The canonical SMILES for ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole is C/C=c1/nc(C)[nH]/c1=C/CC.CC.
What is the InChIKey of ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole?
The InChIKey is KGDKGSVUKRXNGY-OYPDEJHISA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h5-6H,4H2,1-3H3,(H,10,11);1-2H3/b8-5+,9-6+;.
What are the key properties of ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole?
ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole has a molecular weight of 180.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole is sourced from PubChem (CID 143453484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).