2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium

C17H26N2O2P+ — CID 170001717

IUPAC2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium
SMILESCC(C)c1ccc2nc(C(C)C)n(C(C)(C)O[P+](C)=O)c2c1
InChIInChI=1S/C17H26N2O2P/c1-11(2)13-8-9-14-15(10-13)19(16(18-14)12(3)4)17(5,6)21-22(7)20/h8-12H,1-7H3/q+1
InChIKeyCMMQJMQLASWOPC-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.36
Rot. Bonds5

About 2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium

2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium (PubChem CID 170001717) has the molecular formula C17H26N2O2P+ and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium
PubChem CID170001717
Molecular FormulaC17H26N2O2P+
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium
SMILESCC(C)c1ccc2nc(C(C)C)n(C(C)(C)O[P+](C)=O)c2c1
InChIInChI=1S/C17H26N2O2P/c1-11(2)13-8-9-14-15(10-13)19(16(18-14)12(3)4)17(5,6)21-22(7)20/h8-12H,1-7H3/q+1
InChIKeyCMMQJMQLASWOPC-UHFFFAOYSA-N
XLogP5.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium?
The IUPAC name of 2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium (CID 170001717) is 2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium?
The canonical SMILES for 2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium is CC(C)c1ccc2nc(C(C)C)n(C(C)(C)O[P+](C)=O)c2c1.
What is the InChIKey of 2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium?
The InChIKey is CMMQJMQLASWOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2P/c1-11(2)13-8-9-14-15(10-13)19(16(18-14)12(3)4)17(5,6)21-22(7)20/h8-12H,1-7H3/q+1.
What are the key properties of 2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium?
2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium has a molecular weight of 321.38 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)benzimidazol-1-yl]propan-2-yloxy-methyl-oxophosphanium is sourced from PubChem (CID 170001717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).