(1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium

C28H28N2P+ — CID 132604281

IUPAC(1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium
SMILESCN1c2ccccc2N(C)C1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28N2P/c1-29-26-20-12-13-21-27(26)30(2)28(29)22-31(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-21,28H,22H2,1-2H3/q+1
InChIKeyOLNRTMAOHUTUNH-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.89
Rot. Bonds5

About (1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium

(1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium (PubChem CID 132604281) has the molecular formula C28H28N2P+ and a molecular weight of 423.52 g/mol. Its IUPAC name is (1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium
PubChem CID132604281
Molecular FormulaC28H28N2P+
Molecular Weight423.52 g/mol
Exact Mass423.20
IUPAC Name(1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium
SMILESCN1c2ccccc2N(C)C1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28N2P/c1-29-26-20-12-13-21-27(26)30(2)28(29)22-31(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-21,28H,22H2,1-2H3/q+1
InChIKeyOLNRTMAOHUTUNH-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropylmethyl(triphenyl)phosphanium;hydrobromide
CID 123134069
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
cyclobutylmethyl(triphenyl)phosphanium bromide
CID 86583711
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
CID 172998208
CID 172998208
[3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]methyl-triphenylphosphanium
CID 101347825
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
3-iminoprop-2-enyl(triphenyl)phosphanium
CID 139243695
aminomethyl(triphenyl)phosphanium
CID 155040126
tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
chloromethyl(triphenyl)phosphanium;methanolate
CID 18356085

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium?
The IUPAC name of (1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium (CID 132604281) is (1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium.
What is the SMILES notation for (1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium?
The canonical SMILES for (1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium is CN1c2ccccc2N(C)C1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium?
The InChIKey is OLNRTMAOHUTUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2P/c1-29-26-20-12-13-21-27(26)30(2)28(29)22-31(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-21,28H,22H2,1-2H3/q+1.
What are the key properties of (1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium?
(1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium has a molecular weight of 423.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium is sourced from PubChem (CID 132604281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).