amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium

C21H23N3P+ — CID 170240183

IUPACamino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium
SMILESCN1CN(C[P+](N)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23N3P/c1-23-16-24(21-15-9-8-14-20(21)23)17-25(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16-17,22H2,1H3/q+1
InChIKeyULDBINXESPSFES-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.40
Rot. Bonds4

About amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium

amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium (PubChem CID 170240183) has the molecular formula C21H23N3P+ and a molecular weight of 348.41 g/mol. Its IUPAC name is amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium.

Molecular Properties

Compound Nameamino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium
PubChem CID170240183
Molecular FormulaC21H23N3P+
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Nameamino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium
SMILESCN1CN(C[P+](N)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23N3P/c1-23-16-24(21-15-9-8-14-20(21)23)17-25(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16-17,22H2,1H3/q+1
InChIKeyULDBINXESPSFES-UHFFFAOYSA-N
XLogP3.40
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole
CID 71350000
1-butyl-3-methyl-2H-benzimidazole;hydrofluoride
CID 173351817
2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride
CID 173113975
1-methyl-3-nonyl-2H-benzimidazole
CID 138678028
1-methyl-3-[[16-[(3-methyl-2H-benzimidazol-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]-2H-benzimidazole
CID 59582452
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-2-amine
CID 63777117
1-methyl-3-oxido-2H-benzimidazole
CID 173249614
2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
CID 63779171
2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine
CID 64681857
2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
CID 106114846
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
CID 63776591

Frequently Asked Questions

What is the IUPAC name of amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium?
The IUPAC name of amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium (CID 170240183) is amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium.
What is the SMILES notation for amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium?
The canonical SMILES for amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium is CN1CN(C[P+](N)(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium?
The InChIKey is ULDBINXESPSFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3P/c1-23-16-24(21-15-9-8-14-20(21)23)17-25(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16-17,22H2,1H3/q+1.
What are the key properties of amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium?
amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium has a molecular weight of 348.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(3-methyl-2H-benzimidazol-1-yl)methyl]-diphenylphosphanium is sourced from PubChem (CID 170240183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).