(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole

C8H12N2 — CID 134444617

IUPAC(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole
SMILESC/C=c1/nc[nH]/c1=C/CC
InChIInChI=1S/C8H12N2/c1-3-5-8-7(4-2)9-6-10-8/h4-6H,3H2,1-2H3,(H,9,10)/b7-4+,8-5+
InChIKeyOVDWVKAREQSTRY-NSLJXJERSA-N
MW136.20 g/mol
LogP0.40
Rot. Bonds1

About (4E,5E)-4-ethylidene-5-propylidene-1H-imidazole

(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole (PubChem CID 134444617) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-propylidene-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole
PubChem CID134444617
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole
SMILESC/C=c1/nc[nH]/c1=C/CC
InChIInChI=1S/C8H12N2/c1-3-5-8-7(4-2)9-6-10-8/h4-6H,3H2,1-2H3,(H,9,10)/b7-4+,8-5+
InChIKeyOVDWVKAREQSTRY-NSLJXJERSA-N
XLogP0.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4E,5E)-4-(2-fluoroethylidene)-5-(2-fluoropropylidene)-1H-imidazole
CID 144356998
(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1H-imidazole
CID 144415068
5,6-dihydro-3H-benzimidazol-5-amine
CID 67036041
5,6-dihydro-1H-benzimidazole
CID 68269788
6-methyl-5,6-dihydro-1H-benzimidazole
CID 68310961
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
6-ethyl-5,6-dihydro-1H-benzimidazole
CID 89554317
(4E,5E)-4,5-di(ethylidene)-1H-imidazole
CID 90084299
5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
1,5-Dihydrocyclopenta[d]imidazole
CID 118403284

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-propylidene-1H-imidazole?
The IUPAC name of (4E,5E)-4-ethylidene-5-propylidene-1H-imidazole (CID 134444617) is (4E,5E)-4-ethylidene-5-propylidene-1H-imidazole.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-propylidene-1H-imidazole?
The canonical SMILES for (4E,5E)-4-ethylidene-5-propylidene-1H-imidazole is C/C=c1/nc[nH]/c1=C/CC.
What is the InChIKey of (4E,5E)-4-ethylidene-5-propylidene-1H-imidazole?
The InChIKey is OVDWVKAREQSTRY-NSLJXJERSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-8-7(4-2)9-6-10-8/h4-6H,3H2,1-2H3,(H,9,10)/b7-4+,8-5+.
What are the key properties of (4E,5E)-4-ethylidene-5-propylidene-1H-imidazole?
(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole has a molecular weight of 136.20 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-5-propylidene-1H-imidazole is sourced from PubChem (CID 134444617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).