2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride

C31H25Cl2N7Ru — CID 139238299

IUPAC2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cl[Ru+].[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H13N5.C12H12N2.2ClH.Ru/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;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h1-11H,(H,21,22)(H,23,24);3-8H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeySMRSBSNVXSAFCZ-UHFFFAOYSA-L
MW667.57 g/mol
LogP4.62
Rot. Bonds3

About 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride

2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride (PubChem CID 139238299) has the molecular formula C31H25Cl2N7Ru and a molecular weight of 667.57 g/mol. Its IUPAC name is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride.

Molecular Properties

Compound Name2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride
PubChem CID139238299
Molecular FormulaC31H25Cl2N7Ru
Molecular Weight667.57 g/mol
Exact Mass667.06
IUPAC Name2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cl[Ru+].[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H13N5.C12H12N2.2ClH.Ru/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;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h1-11H,(H,21,22)(H,23,24);3-8H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeySMRSBSNVXSAFCZ-UHFFFAOYSA-L
XLogP4.62
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500667.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 66821845
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium
CID 15083163
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);terephthalic acid;tetrahydrate
CID 139060997
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
CID 15059490
[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
CID 138672421

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride?
The IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride (CID 139238299) is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride.
What is the SMILES notation for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride?
The canonical SMILES for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride is Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Ru+].[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride?
The InChIKey is SMRSBSNVXSAFCZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H13N5.C12H12N2.2ClH.Ru/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;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h1-11H,(H,21,22)(H,23,24);3-8H,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride?
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride has a molecular weight of 667.57 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride is sourced from PubChem (CID 139238299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).