[3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium

C26H19ClN2O3P+ — CID 67447792

IUPAC[3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)Cc1cccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)c1
InChIInChI=1S/C26H18ClN2O3P/c27-23-15-25-24(28-26(29-25)32-21-8-4-5-17(13-21)16-33(30)31)14-22(23)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-15H,16H2,(H-,28,29,30,31)/p+1
InChIKeyPCOZBNKUBWUNIH-UHFFFAOYSA-O
MW473.88 g/mol
LogP7.58
Rot. Bonds6

About [3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium

[3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium (PubChem CID 67447792) has the molecular formula C26H19ClN2O3P+ and a molecular weight of 473.88 g/mol. Its IUPAC name is [3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium
PubChem CID67447792
Molecular FormulaC26H19ClN2O3P+
Molecular Weight473.88 g/mol
Exact Mass473.08
IUPAC Name[3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)Cc1cccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)c1
InChIInChI=1S/C26H18ClN2O3P/c27-23-15-25-24(28-26(29-25)32-21-8-4-5-17(13-21)16-33(30)31)14-22(23)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-15H,16H2,(H-,28,29,30,31)/p+1
InChIKeyPCOZBNKUBWUNIH-UHFFFAOYSA-O
XLogP7.58
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.88
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium?
The IUPAC name of [3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium (CID 67447792) is [3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium.
What is the SMILES notation for [3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium?
The canonical SMILES for [3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium is O=[P+](O)Cc1cccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)c1.
What is the InChIKey of [3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium?
The InChIKey is PCOZBNKUBWUNIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H18ClN2O3P/c27-23-15-25-24(28-26(29-25)32-21-8-4-5-17(13-21)16-33(30)31)14-22(23)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-15H,16H2,(H-,28,29,30,31)/p+1.
What are the key properties of [3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium?
[3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium has a molecular weight of 473.88 g/mol, XLogP of 7.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]phenyl]methyl-hydroxy-oxophosphanium is sourced from PubChem (CID 67447792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).