(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine

C7H11N3 — CID 137220482

IUPAC(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine
SMILESC/C=C1/NC=N/C1=N\CC
InChIInChI=1S/C7H11N3/c1-3-6-7(8-4-2)10-5-9-6/h3,5H,4H2,1-2H3,(H,8,9,10)/b6-3+
InChIKeyBINFDRSWJWCBHO-ZZXKWVIFSA-N
MW137.19 g/mol
LogP0.94
Rot. Bonds1

About (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine

(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine (PubChem CID 137220482) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine.

Molecular Properties

Compound Name(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine
PubChem CID137220482
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine
SMILESC/C=C1/NC=N/C1=N\CC
InChIInChI=1S/C7H11N3/c1-3-6-7(8-4-2)10-5-9-6/h3,5H,4H2,1-2H3,(H,8,9,10)/b6-3+
InChIKeyBINFDRSWJWCBHO-ZZXKWVIFSA-N
XLogP0.94
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine with MolForge

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

Launch Full Analysis

Related Compounds

1,7-Dihydroimidazo[4,5-d][1,3]diazepine
CID 20346529
(5Z)-5-(1-chloroethylidene)-N-ethenylimidazol-4-amine
CID 89509482
(4E,5E)-4,5-di(ethylidene)-1H-imidazole
CID 90084299
2,8,10-Triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 123736072
(4E)-4-ethylidene-5-methylidene-1H-imidazole
CID 130181806
N-ethenyl-2-methyliminopyrrol-3-amine
CID 134292836
(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 137030202
(5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine
CID 137157877
(5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine
CID 137230776
(5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine
CID 143871723
(1E)-1-[(4E)-4-ethylidene-1H-imidazol-5-ylidene]-N-methylmethanamine
CID 144420291
ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen
CID 145371011

Frequently Asked Questions

What is the IUPAC name of (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine?
The IUPAC name of (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine (CID 137220482) is (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine.
What is the SMILES notation for (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine?
The canonical SMILES for (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine is C/C=C1/NC=N/C1=N\CC.
What is the InChIKey of (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine?
The InChIKey is BINFDRSWJWCBHO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-6-7(8-4-2)10-5-9-6/h3,5H,4H2,1-2H3,(H,8,9,10)/b6-3+.
What are the key properties of (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine?
(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine has a molecular weight of 137.19 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine is sourced from PubChem (CID 137220482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).