manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate

C29H22MnN8O5 — CID 139061069

IUPACmanganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate
SMILESO.O=C([O-])c1cnc(=O)[nH]c1[O-].[Mn+2].c1ccc(-c2nc3ccccc3[nH]2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/2C12H9N3.C5H4N2O4.Mn.H2O/c2*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;8-3-2(4(9)10)1-6-5(11)7-3;;/h2*1-8H,(H,14,15);1H,(H,9,10)(H2,6,7,8,11);;1H2/q;;;+2;/p-2
InChIKeySWPMBUKYKYNFMK-UHFFFAOYSA-L
MW617.48 g/mol
LogP1.63
Rot. Bonds3

About manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate

manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate (PubChem CID 139061069) has the molecular formula C29H22MnN8O5 and a molecular weight of 617.48 g/mol. Its IUPAC name is manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate.

Molecular Properties

Compound Namemanganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate
PubChem CID139061069
Molecular FormulaC29H22MnN8O5
Molecular Weight617.48 g/mol
Exact Mass617.11
IUPAC Namemanganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate
SMILESO.O=C([O-])c1cnc(=O)[nH]c1[O-].[Mn+2].c1ccc(-c2nc3ccccc3[nH]2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/2C12H9N3.C5H4N2O4.Mn.H2O/c2*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;8-3-2(4(9)10)1-6-5(11)7-3;;/h2*1-8H,(H,14,15);1H,(H,9,10)(H2,6,7,8,11);;1H2/q;;;+2;/p-2
InChIKeySWPMBUKYKYNFMK-UHFFFAOYSA-L
XLogP1.63
TPSA223.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.48
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate
CID 139135209
benzene;bis(2-(1H-imidazol-2-yl)pyridine);tetrakis((Z)-4-oxopent-2-en-2-olate);bis(ruthenium(2+))
CID 139141466
dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate
CID 139145465
copper;1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine;2-methylprop-2-enoate;perchlorate
CID 139176649
2-(1H-benzimidazol-2-yl)benzimidazol-1-ide;(1Z,3Z)-N-methyl-5-pyridin-2-ylhexa-1,3,5-trien-1-amine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 143210258
manganese(2+);2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide;cyanate;dihydrate
CID 139176806

Frequently Asked Questions

What is the IUPAC name of manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate?
The IUPAC name of manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate (CID 139061069) is manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate.
What is the SMILES notation for manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate?
The canonical SMILES for manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate is O.O=C([O-])c1cnc(=O)[nH]c1[O-].[Mn+2].c1ccc(-c2nc3ccccc3[nH]2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate?
The InChIKey is SWPMBUKYKYNFMK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H9N3.C5H4N2O4.Mn.H2O/c2*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;8-3-2(4(9)10)1-6-5(11)7-3;;/h2*1-8H,(H,14,15);1H,(H,9,10)(H2,6,7,8,11);;1H2/q;;;+2;/p-2.
What are the key properties of manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate?
manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate has a molecular weight of 617.48 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);6-oxido-2-oxo-1H-pyrimidine-5-carboxylate;bis(2-pyridin-2-yl-1H-benzimidazole);hydrate is sourced from PubChem (CID 139061069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).