2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane

C17H19N2P — CID 135015866

IUPAC2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane
SMILESC1=CN(CCP(c2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C17H19N2P/c1-3-7-16(8-4-1)20(17-9-5-2-6-10-17)14-13-19-12-11-18-15-19/h1-12,18H,13-15H2
InChIKeyTYGZOQIWCQFFSV-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.45
Rot. Bonds5

About 2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane

2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane (PubChem CID 135015866) has the molecular formula C17H19N2P and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane.

Molecular Properties

Compound Name2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane
PubChem CID135015866
Molecular FormulaC17H19N2P
Molecular Weight282.33 g/mol
Exact Mass282.13
IUPAC Name2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane
SMILESC1=CN(CCP(c2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C17H19N2P/c1-3-7-16(8-4-1)20(17-9-5-2-6-10-17)14-13-19-12-11-18-15-19/h1-12,18H,13-15H2
InChIKeyTYGZOQIWCQFFSV-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane?
The IUPAC name of 2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane (CID 135015866) is 2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane.
What is the SMILES notation for 2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane?
The canonical SMILES for 2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane is C1=CN(CCP(c2ccccc2)c2ccccc2)CN1.
What is the InChIKey of 2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane?
The InChIKey is TYGZOQIWCQFFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2P/c1-3-7-16(8-4-1)20(17-9-5-2-6-10-17)14-13-19-12-11-18-15-19/h1-12,18H,13-15H2.
What are the key properties of 2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane?
2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane has a molecular weight of 282.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroimidazol-3-yl)ethyl-diphenylphosphane is sourced from PubChem (CID 135015866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).