tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride

C21H21ClN9Ru4+11 — CID 10440546

IUPACtris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride
SMILESNc1nc2ccccc2[nH]1.Nc1nc2ccccc2[nH]1.Nc1nc2ccccc2[nH]1.[Cl-].[Ru+3].[Ru+3].[Ru+3].[Ru+3]
InChIInChI=1S/3C7H7N3.ClH.4Ru/c3*8-7-9-5-3-1-2-4-6(5)10-7;;;;;/h3*1-4H,(H3,8,9,10);1H;;;;/q;;;;4*+3/p-1
InChIKeyZNLLXJMXMLWZPM-UHFFFAOYSA-M
MW839.19 g/mol
LogP0.43
Rot. Bonds

About tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride

tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride (PubChem CID 10440546) has the molecular formula C21H21ClN9Ru4+11 and a molecular weight of 839.19 g/mol. Its IUPAC name is tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride.

Molecular Properties

Compound Nametris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride
PubChem CID10440546
Molecular FormulaC21H21ClN9Ru4+11
Molecular Weight839.19 g/mol
Exact Mass841.77
IUPAC Nametris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride
SMILESNc1nc2ccccc2[nH]1.Nc1nc2ccccc2[nH]1.Nc1nc2ccccc2[nH]1.[Cl-].[Ru+3].[Ru+3].[Ru+3].[Ru+3]
InChIInChI=1S/3C7H7N3.ClH.4Ru/c3*8-7-9-5-3-1-2-4-6(5)10-7;;;;;/h3*1-4H,(H3,8,9,10);1H;;;;/q;;;;4*+3/p-1
InChIKeyZNLLXJMXMLWZPM-UHFFFAOYSA-M
XLogP0.43
TPSA164.10 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.19
LogP ≤ 50.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride?
The IUPAC name of tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride (CID 10440546) is tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride.
What is the SMILES notation for tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride?
The canonical SMILES for tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride is Nc1nc2ccccc2[nH]1.Nc1nc2ccccc2[nH]1.Nc1nc2ccccc2[nH]1.[Cl-].[Ru+3].[Ru+3].[Ru+3].[Ru+3].
What is the InChIKey of tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride?
The InChIKey is ZNLLXJMXMLWZPM-UHFFFAOYSA-M. The full InChI is InChI=1S/3C7H7N3.ClH.4Ru/c3*8-7-9-5-3-1-2-4-6(5)10-7;;;;;/h3*1-4H,(H3,8,9,10);1H;;;;/q;;;;4*+3/p-1.
What are the key properties of tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride?
tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride has a molecular weight of 839.19 g/mol, XLogP of 0.43, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride is sourced from PubChem (CID 10440546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).