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+)

C36H31N8Ru — CID 143210258

IUPAC2-(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+)
SMILESC=C(/C=C\C=C/NC)c1ccccn1.[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc2[n-]c(-c3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C14H9N4.C12H14N2.C10H8N2.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;1-11(7-3-5-9-13-2)12-8-4-6-10-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-8H,(H-,15,16,17,18);3-10,13H,1H2,2H3;1-8H;/q-1;;;+1/b;7-3-,9-5-;;
InChIKeyCSDHJNVOVPMVQE-GSFLZOAMSA-N
MW676.77 g/mol
LogP7.26
Rot. Bonds6

About 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+)

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+) (PubChem CID 143210258) has the molecular formula C36H31N8Ru and a molecular weight of 676.77 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name2-(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+)
PubChem CID143210258
Molecular FormulaC36H31N8Ru
Molecular Weight676.77 g/mol
Exact Mass677.17
IUPAC Name2-(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+)
SMILESC=C(/C=C\C=C/NC)c1ccccn1.[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc2[n-]c(-c3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C14H9N4.C12H14N2.C10H8N2.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;1-11(7-3-5-9-13-2)12-8-4-6-10-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-8H,(H-,15,16,17,18);3-10,13H,1H2,2H3;1-8H;/q-1;;;+1/b;7-3-,9-5-;;
InChIKeyCSDHJNVOVPMVQE-GSFLZOAMSA-N
XLogP7.26
TPSA106.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.77
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-benzimidazol-5-yl)-6-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
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2-(3H-benzimidazol-5-yl)-6-(6-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 11743266
2-(3H-benzimidazol-5-yl)-6-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 10477610
N-(1H-benzimidazol-2-ylmethyl)-2-piperazin-1-yl-9-pyridin-3-ylpurin-6-amine
CID 145973723
N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylpiperazin-1-yl)-9-pyridin-3-ylpurin-6-amine
CID 145967991
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 2-(2-pyridyl)pyridine; ruthenium(3+); hexafluorophosphate
CID 6481875
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 2-(2-pyridyl)pyridine; ruthenium(3+); dihexafluorophosphate
CID 6481878
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 2-(2-pyridyl)pyridine; ruthenium(2+); hexafluorophosphate
CID 6481880
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; ruthenium(2+)
CID 6481881
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; pyrazine; 2-(2-pyridyl)pyridine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980900
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-6-(6-methyl-3-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 90114330
3-(1H-benzimidazol-2-yl)-5-(2-piperazin-1-yl-4-pyridinyl)pyrazin-2-amine
CID 68496639

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is C=C(/C=C\C=C/NC)c1ccccn1.[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc2[n-]c(-c3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of 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+)?
The InChIKey is CSDHJNVOVPMVQE-GSFLZOAMSA-N. The full InChI is InChI=1S/C14H9N4.C12H14N2.C10H8N2.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;1-11(7-3-5-9-13-2)12-8-4-6-10-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-8H,(H-,15,16,17,18);3-10,13H,1H2,2H3;1-8H;/q-1;;;+1/b;7-3-,9-5-;;.
What are the key properties of 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+)?
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+) has a molecular weight of 676.77 g/mol, XLogP of 7.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 143210258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).