copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol

C22H16CuN8O — CID 139080271

IUPACcopper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol
SMILESCO.N#CN=C=[N-].[Cu+2].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H12N5.C2N3.CH4O.Cu/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;3-1-5-2-4;1-2;/h1-11H,(H-,21,22,23,24);;2H,1H3;/q2*-1;;+2
InChIKeyQDNBRKYHNPRYHZ-UHFFFAOYSA-N
MW471.97 g/mol
LogP3.61
Rot. Bonds2

About copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol

copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol (PubChem CID 139080271) has the molecular formula C22H16CuN8O and a molecular weight of 471.97 g/mol. Its IUPAC name is copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol.

Molecular Properties

Compound Namecopper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol
PubChem CID139080271
Molecular FormulaC22H16CuN8O
Molecular Weight471.97 g/mol
Exact Mass471.07
IUPAC Namecopper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol
SMILESCO.N#CN=C=[N-].[Cu+2].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H12N5.C2N3.CH4O.Cu/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;3-1-5-2-4;1-2;/h1-11H,(H-,21,22,23,24);;2H,1H3;/q2*-1;;+2
InChIKeyQDNBRKYHNPRYHZ-UHFFFAOYSA-N
XLogP3.61
TPSA147.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol 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

2,6-Bis(benzimidazol-2-yl)pyridine
CID 738986
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; ruthenium(2+)
CID 6481881
N,N,N'-tris(benzimidazol-2-ylmethyl)-N'-(2-hydroxyethyl)-ethylenediamine
CID 15802541
6,6'-Bis(benzimidazolyl)-2,2'-bipyridine
CID 85744460
2-[1,2,2-tris(1H-benzimidazol-2-yl)ethenyl]-1H-benzimidazole
CID 423793
2,5-bis-(Benzimidazol-2-yl)-pyrrol
CID 12665575
2,6-Bis(2-benzimidazolyl) pyridine, hydrate
CID 85855032
2,6-Bis(2-benzimidazolyl) pyridine, 1.5 hydrate
CID 85855034
CID 139052449
CID 139052449
bis(1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine);nickel(2+);dichloride
CID 139055750
2-(1,3-Benzimidazol-2-io)-6-(1,3-benzimidazol-2-yl)pyridine perchlorate monohydrate
CID 139057812
tris(1H-benzimidazol-2-ylmethyl)amine monohydrate
CID 139059633

Frequently Asked Questions

What is the IUPAC name of copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol?
The IUPAC name of copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol (CID 139080271) is copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol.
What is the SMILES notation for copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol?
The canonical SMILES for copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol is CO.N#CN=C=[N-].[Cu+2].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol?
The InChIKey is QDNBRKYHNPRYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N5.C2N3.CH4O.Cu/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;3-1-5-2-4;1-2;/h1-11H,(H-,21,22,23,24);;2H,1H3;/q2*-1;;+2.
What are the key properties of copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol?
copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol has a molecular weight of 471.97 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;cyanoiminomethylideneazanide;methanol is sourced from PubChem (CID 139080271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).