copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine

C12H16CuN6+2 — CID 3035985

IUPACcopper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine
SMILESC(=N/CCCC/N=C/c1ncc[nH]1)\c1ncc[nH]1.[Cu+2]
InChIInChI=1S/C12H16N6.Cu/c1(3-13-9-11-15-5-6-16-11)2-4-14-10-12-17-7-8-18-12;/h5-10H,1-4H2,(H,15,16)(H,17,18);/q;+2/b13-9+,14-10+;
InChIKeyLMERLXYHEUYQOO-ALGRVRKVSA-N
MW307.85 g/mol
LogP1.45
Rot. Bonds7

About copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine

copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine (PubChem CID 3035985) has the molecular formula C12H16CuN6+2 and a molecular weight of 307.85 g/mol. Its IUPAC name is copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine.

Molecular Properties

Compound Namecopper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine
PubChem CID3035985
Molecular FormulaC12H16CuN6+2
Molecular Weight307.85 g/mol
Exact Mass307.07
IUPAC Namecopper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine
SMILESC(=N/CCCC/N=C/c1ncc[nH]1)\c1ncc[nH]1.[Cu+2]
InChIInChI=1S/C12H16N6.Cu/c1(3-13-9-11-15-5-6-16-11)2-4-14-10-12-17-7-8-18-12;/h5-10H,1-4H2,(H,15,16)(H,17,18);/q;+2/b13-9+,14-10+;
InChIKeyLMERLXYHEUYQOO-ALGRVRKVSA-N
XLogP1.45
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methylimidazole
CID 12749
2-Ethylimidazole
CID 66130
2,2'-Biimidazole
CID 101463
2-Propylimidazole
CID 162617
1,4-bis(1H-imidazol-2-ylmethyl)piperazine
CID 272245
2-butyl-1H-imidazole
CID 11815351
1H-Imidazol-3-ium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium
CID 2733479
2-aminomethyl-1H-imidazole
CID 1382041
((1H-imidazol-2-yl)methyl)dimethylamine
CID 11457689
((1H-imidazol-2-yl)methyl)(methyl)amine
CID 21973641
1H-imidazol-2-ylmethanamine dihydrochloride
CID 12417863
3-(1H-Imidazol-2-yl)propan-1-amine
CID 13290797

Frequently Asked Questions

What is the IUPAC name of copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine?
The IUPAC name of copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine (CID 3035985) is copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine.
What is the SMILES notation for copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine?
The canonical SMILES for copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine is C(=N/CCCC/N=C/c1ncc[nH]1)\c1ncc[nH]1.[Cu+2].
What is the InChIKey of copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine?
The InChIKey is LMERLXYHEUYQOO-ALGRVRKVSA-N. The full InChI is InChI=1S/C12H16N6.Cu/c1(3-13-9-11-15-5-6-16-11)2-4-14-10-12-17-7-8-18-12;/h5-10H,1-4H2,(H,15,16)(H,17,18);/q;+2/b13-9+,14-10+;.
What are the key properties of copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine?
copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine has a molecular weight of 307.85 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine is sourced from PubChem (CID 3035985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).