manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate

C25H21MnN7O3 — CID 139176806

IUPACmanganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate
SMILESN#C[O-].O.O.[Mn+2].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C12H9N3.C12H8N3.CHNO.Mn.2H2O/c2*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;2-1-3;;;/h1-8H,(H,14,15);1-8H;3H;;2*1H2/q;-1;;+2;;/p-1
InChIKeyZCSHOMKEBUNCRW-UHFFFAOYSA-M
MW522.43 g/mol
LogP2.05
Rot. Bonds2

About manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate

manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate (PubChem CID 139176806) has the molecular formula C25H21MnN7O3 and a molecular weight of 522.43 g/mol. Its IUPAC name is manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate.

Molecular Properties

Compound Namemanganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate
PubChem CID139176806
Molecular FormulaC25H21MnN7O3
Molecular Weight522.43 g/mol
Exact Mass522.11
IUPAC Namemanganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate
SMILESN#C[O-].O.O.[Mn+2].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C12H9N3.C12H8N3.CHNO.Mn.2H2O/c2*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;2-1-3;;;/h1-8H,(H,14,15);1-8H;3H;;2*1H2/q;-1;;+2;;/p-1
InChIKeyZCSHOMKEBUNCRW-UHFFFAOYSA-M
XLogP2.05
TPSA191.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate 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

platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
iridium(3+);bis(2-phenylpyridine);2-pyridin-2-ylbenzimidazol-1-ide
CID 59010560
2-phenylpyridine;platinum(2+);2-pyridin-2-ylbenzimidazol-1-ide
CID 20807166
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(oxygen(2-));bis(pyridine);uranium
CID 139140868
2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;tetrakis(5,6-dimethyl-1,10-phenanthroline);ruthenium;ruthenium(1+);trihexafluorophosphate
CID 158062065
2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
CID 118989540
2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
CID 7044978
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;iridium;2-pyridin-2-yl-1H-benzimidazole
CID 58099167
cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate
CID 139074463
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886

Frequently Asked Questions

What is the IUPAC name of manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate?
The IUPAC name of manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate (CID 139176806) is manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate.
What is the SMILES notation for manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate?
The canonical SMILES for manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate is N#C[O-].O.O.[Mn+2].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate?
The InChIKey is ZCSHOMKEBUNCRW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9N3.C12H8N3.CHNO.Mn.2H2O/c2*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;2-1-3;;;/h1-8H,(H,14,15);1-8H;3H;;2*1H2/q;-1;;+2;;/p-1.
What are the key properties of manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate?
manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate has a molecular weight of 522.43 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate is sourced from PubChem (CID 139176806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).