(E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine

C8H8N6 — CID 139088023

IUPAC(E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1ncc[nH]1)\c1ncc[nH]1
InChIInChI=1S/C8H8N6/c1-2-10-7(9-1)5-13-14-6-8-11-3-4-12-8/h1-6H,(H,9,10)(H,11,12)/b13-5+,14-6+
InChIKeySWFRFVAFFDMZQJ-ACFHMISVSA-N
MW188.19 g/mol
LogP0.59
Rot. Bonds3

About (E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine

(E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine (PubChem CID 139088023) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is (E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine
PubChem CID139088023
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name(E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1ncc[nH]1)\c1ncc[nH]1
InChIInChI=1S/C8H8N6/c1-2-10-7(9-1)5-13-14-6-8-11-3-4-12-8/h1-6H,(H,9,10)(H,11,12)/b13-5+,14-6+
InChIKeySWFRFVAFFDMZQJ-ACFHMISVSA-N
XLogP0.59
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methylimidazole
CID 12749
2-Ethylimidazole
CID 66130
2,2'-Biimidazole
CID 101463
1H-imidazole-2-carbonitrile
CID 564456
2-Propylimidazole
CID 162617
1,4-bis(1H-imidazol-2-ylmethyl)piperazine
CID 272245
1H-Tetrazole, 5-(1H-imidazol-2-ylmethyl)-
CID 3048690
2-aminomethyl-1H-imidazole
CID 1382041
((1H-imidazol-2-yl)methyl)dimethylamine
CID 11457689
2-methylimidazole zinc salt
CID 15245636
((1H-imidazol-2-yl)methyl)(methyl)amine
CID 21973641
1H-imidazol-2-ylmethanamine dihydrochloride
CID 12417863

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine (CID 139088023) is (E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine is C(=N/N=C/c1ncc[nH]1)\c1ncc[nH]1.
What is the InChIKey of (E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine?
The InChIKey is SWFRFVAFFDMZQJ-ACFHMISVSA-N. The full InChI is InChI=1S/C8H8N6/c1-2-10-7(9-1)5-13-14-6-8-11-3-4-12-8/h1-6H,(H,9,10)(H,11,12)/b13-5+,14-6+.
What are the key properties of (E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine?
(E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine has a molecular weight of 188.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-imidazol-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]methanimine is sourced from PubChem (CID 139088023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).