1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride

C31H33Cl3N5V-3 — CID 173243403

IUPAC1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride
SMILES[Cl-].[Cl-].[Cl-].[V].c1cc(-c2nc3ccccc3n2C2CCCCC2)nc(-c2nc3ccccc3n2C2CCCCC2)c1
InChIInChI=1S/C31H33N5.3ClH.V/c1-3-12-22(13-4-1)35-28-20-9-7-16-24(28)33-30(35)26-18-11-19-27(32-26)31-34-25-17-8-10-21-29(25)36(31)23-14-5-2-6-15-23;;;;/h7-11,16-23H,1-6,12-15H2;3*1H;/p-3
InChIKeyQLVIIXICHGBLRZ-UHFFFAOYSA-K
MW632.94 g/mol
LogP-0.87
Rot. Bonds4

About 1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride

1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride (PubChem CID 173243403) has the molecular formula C31H33Cl3N5V-3 and a molecular weight of 632.94 g/mol. Its IUPAC name is 1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride.

Molecular Properties

Compound Name1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride
PubChem CID173243403
Molecular FormulaC31H33Cl3N5V-3
Molecular Weight632.94 g/mol
Exact Mass631.13
IUPAC Name1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride
SMILES[Cl-].[Cl-].[Cl-].[V].c1cc(-c2nc3ccccc3n2C2CCCCC2)nc(-c2nc3ccccc3n2C2CCCCC2)c1
InChIInChI=1S/C31H33N5.3ClH.V/c1-3-12-22(13-4-1)35-28-20-9-7-16-24(28)33-30(35)26-18-11-19-27(32-26)31-34-25-17-8-10-21-29(25)36(31)23-14-5-2-6-15-23;;;;/h7-11,16-23H,1-6,12-15H2;3*1H;/p-3
InChIKeyQLVIIXICHGBLRZ-UHFFFAOYSA-K
XLogP-0.87
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.94
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 62794484
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CID 56852643
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one
CID 118919117
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
2-phenyl-1-piperidin-4-ylbenzimidazole
CID 21222159
5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol
CID 170036549
3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole
CID 141106811
9-cyclononylcarbazole
CID 139570160
1-[(1S,5R)-9-[(1R,6S)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(3H-pyrrol-5-yl)benzimidazole
CID 118258006
1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole
CID 150379591
3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 43325877

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride?
The IUPAC name of 1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride (CID 173243403) is 1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride.
What is the SMILES notation for 1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride?
The canonical SMILES for 1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride is [Cl-].[Cl-].[Cl-].[V].c1cc(-c2nc3ccccc3n2C2CCCCC2)nc(-c2nc3ccccc3n2C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride?
The InChIKey is QLVIIXICHGBLRZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C31H33N5.3ClH.V/c1-3-12-22(13-4-1)35-28-20-9-7-16-24(28)33-30(35)26-18-11-19-27(32-26)31-34-25-17-8-10-21-29(25)36(31)23-14-5-2-6-15-23;;;;/h7-11,16-23H,1-6,12-15H2;3*1H;/p-3.
What are the key properties of 1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride?
1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride has a molecular weight of 632.94 g/mol, XLogP of -0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride is sourced from PubChem (CID 173243403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).