[2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride

C33H21Cl3N5O2V-3 — CID 173243678

IUPAC[2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride
SMILESO=C(c1ccccc1)n1c(-c2cccc(-c3nc4ccccc4n3C(=O)c3ccccc3)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C33H21N5O2.3ClH.V/c39-32(22-12-3-1-4-13-22)37-28-20-9-7-16-24(28)35-30(37)26-18-11-19-27(34-26)31-36-25-17-8-10-21-29(25)38(31)33(40)23-14-5-2-6-15-23;;;;/h1-21H;3*1H;/p-3
InChIKeyJYYDTOOSRJLCHD-UHFFFAOYSA-K
MW676.87 g/mol
LogP-2.50
Rot. Bonds4

About [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride

[2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride (PubChem CID 173243678) has the molecular formula C33H21Cl3N5O2V-3 and a molecular weight of 676.87 g/mol. Its IUPAC name is [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride.

Molecular Properties

Compound Name[2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride
PubChem CID173243678
Molecular FormulaC33H21Cl3N5O2V-3
Molecular Weight676.87 g/mol
Exact Mass675.02
IUPAC Name[2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride
SMILESO=C(c1ccccc1)n1c(-c2cccc(-c3nc4ccccc4n3C(=O)c3ccccc3)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C33H21N5O2.3ClH.V/c39-32(22-12-3-1-4-13-22)37-28-20-9-7-16-24(28)35-30(37)26-18-11-19-27(34-26)31-36-25-17-8-10-21-29(25)38(31)33(40)23-14-5-2-6-15-23;;;;/h1-21H;3*1H;/p-3
InChIKeyJYYDTOOSRJLCHD-UHFFFAOYSA-K
XLogP-2.50
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.87
LogP ≤ 5-2.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride?
The IUPAC name of [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride (CID 173243678) is [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride.
What is the SMILES notation for [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride?
The canonical SMILES for [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride is O=C(c1ccccc1)n1c(-c2cccc(-c3nc4ccccc4n3C(=O)c3ccccc3)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[V].
What is the InChIKey of [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride?
The InChIKey is JYYDTOOSRJLCHD-UHFFFAOYSA-K. The full InChI is InChI=1S/C33H21N5O2.3ClH.V/c39-32(22-12-3-1-4-13-22)37-28-20-9-7-16-24(28)35-30(37)26-18-11-19-27(34-26)31-36-25-17-8-10-21-29(25)38(31)33(40)23-14-5-2-6-15-23;;;;/h1-21H;3*1H;/p-3.
What are the key properties of [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride?
[2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride has a molecular weight of 676.87 g/mol, XLogP of -2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride is sourced from PubChem (CID 173243678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).