(2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene

C77H98N13P2+5 — CID 162108649

About (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene

(2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene (PubChem CID 162108649) has the molecular formula C77H98N13P2+5 and a molecular weight of 1267.67 g/mol. Its IUPAC name is (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene.

Molecular Properties

• Compound Name: (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene
• PubChem CID: 162108649
• Molecular Formula: C77H98N13P2+5
• Molecular Weight: 1267.67 g/mol
• Exact Mass: 1266.75
• IUPAC Name: (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene
• SMILES: CC1N(C)C=C2C=CC3=CN(C)C(C)N3N21.CC1N(C)C=CN1C[P+](C)(c1ccccc1)c1ccccc1.CC1N(C)C=CN1c1cccc[n+]1C.CC1N(C)c2ccccc2N1c1cccc[n+]1C.C[n+]1ccccc1C[P+](C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H22NP.C19H24N2P.C15H18N3.C12H18N4.C11H16N3/c1-21-16-10-9-11-18(21)17-22(2,19-12-5-3-6-13-19)20-14-7-4-8-15-20;1-17-20(2)14-15-21(17)16-22(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19;1-12-17(3)13-8-4-5-9-14(13)18(12)15-10-6-7-11-16(15)2;1-9-13(3)7-11-5-6-12-8-14(4)10(2)16(12)15(9)11;1-10-12(2)8-9-14(10)11-6-4-5-7-13(11)3/h3-16H,17H2,1-2H3;4-15,17H,16H2,1-3H3;4-12H,1-3H3;5-10H,1-4H3;4-10H,1-3H3/q+2;2*+1;;+1
• InChIKey: MNXJKWCDVWVISM-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 44.04 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1267.67
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene?

The IUPAC name of (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene (CID 162108649) is (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene.

What is the SMILES notation for (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene?

The canonical SMILES for (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene is CC1N(C)C=C2C=CC3=CN(C)C(C)N3N21.CC1N(C)C=CN1C[P+](C)(c1ccccc1)c1ccccc1.CC1N(C)C=CN1c1cccc[n+]1C.CC1N(C)c2ccccc2N1c1cccc[n+]1C.C[n+]1ccccc1C[P+](C)(c1ccccc1)c1ccccc1.

What is the InChIKey of (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene?

The InChIKey is MNXJKWCDVWVISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22NP.C19H24N2P.C15H18N3.C12H18N4.C11H16N3/c1-21-16-10-9-11-18(21)17-22(2,19-12-5-3-6-13-19)20-14-7-4-8-15-20;1-17-20(2)14-15-21(17)16-22(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19;1-12-17(3)13-8-4-5-9-14(13)18(12)15-10-6-7-11-16(15)2;1-9-13(3)7-11-5-6-12-8-14(4)10(2)16(12)15(9)11;1-10-12(2)8-9-14(10)11-6-4-5-7-13(11)3/h3-16H,17H2,1-2H3;4-15,17H,16H2,1-3H3;4-12H,1-3H3;5-10H,1-4H3;4-10H,1-3H3/q+2;2*+1;;+1.

What are the key properties of (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene?

(2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene has a molecular weight of 1267.67 g/mol, XLogP of 11.48, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3-dimethyl-2H-imidazol-1-yl)methyl-methyl-diphenylphosphanium;2-(2,3-dimethyl-2H-imidazol-1-yl)-1-methylpyridin-1-ium;1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole;methyl-[(1-methylpyridin-1-ium-2-yl)methyl]-diphenylphosphanium;3,4,11,12-tetramethyl-1,2,4,11-tetrazatricyclo[7.3.0.02,6]dodeca-5,7,9-triene is sourced from PubChem (CID 162108649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).