(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine

C7H10N4 — CID 137030202

IUPAC(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
SMILESC=N/C=C1/NC=N/C1=N\CC
InChIInChI=1S/C7H10N4/c1-3-9-7-6(4-8-2)10-5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11)/b6-4+
InChIKeyCZMLQLCXDKGMKX-GQCTYLIASA-N
MW150.18 g/mol
LogP0.58
Rot. Bonds2

About (5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine

(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine (PubChem CID 137030202) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is (5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine.

Molecular Properties

Compound Name(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
PubChem CID137030202
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
SMILESC=N/C=C1/NC=N/C1=N\CC
InChIInChI=1S/C7H10N4/c1-3-9-7-6(4-8-2)10-5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11)/b6-4+
InChIKeyCZMLQLCXDKGMKX-GQCTYLIASA-N
XLogP0.58
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,7-Dihydroimidazo[4,5-d][1,3]diazepine
CID 20346529
2-Ethyl-1-methyl-2,7-dihydropurine
CID 70179017
N'-[(E)-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)methyl]methanediamine
CID 88918609
(E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide
CID 88944307
(5Z)-5-(1-chloroethylidene)-N-ethenylimidazol-4-amine
CID 89509482
1,5-Dihydroimidazo[4,5-e][1,4]diazepine
CID 91462181
2,5,8,10-Tetrazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 129034702
1-methyl-7H-purin-2-imine
CID 135829330
1,5-Dihydroimidazo[4,5-e][1,2,4]triazepine
CID 136503629
N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine
CID 136596177
(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine
CID 137220482
(E)-[(4E)-4-(aminomethylidene)-2-methyl-1H-imidazol-5-ylidene]methanamine
CID 139297378

Frequently Asked Questions

What is the IUPAC name of (5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine?
The IUPAC name of (5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine (CID 137030202) is (5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine.
What is the SMILES notation for (5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine?
The canonical SMILES for (5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine is C=N/C=C1/NC=N/C1=N\CC.
What is the InChIKey of (5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine?
The InChIKey is CZMLQLCXDKGMKX-GQCTYLIASA-N. The full InChI is InChI=1S/C7H10N4/c1-3-9-7-6(4-8-2)10-5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11)/b6-4+.
What are the key properties of (5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine?
(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine has a molecular weight of 150.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine is sourced from PubChem (CID 137030202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).