1-(2-diphenylphosphorylethyl)imidazole

C17H17N2OP — CID 19358917

IUPAC1-(2-diphenylphosphorylethyl)imidazole
SMILESO=P(CCn1ccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N2OP/c20-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)14-13-19-12-11-18-15-19/h1-12,15H,13-14H2
InChIKeyAGOUWFRKIMMSAJ-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.90
Rot. Bonds5

About 1-(2-diphenylphosphorylethyl)imidazole

1-(2-diphenylphosphorylethyl)imidazole (PubChem CID 19358917) has the molecular formula C17H17N2OP and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-(2-diphenylphosphorylethyl)imidazole.

Molecular Properties

Compound Name1-(2-diphenylphosphorylethyl)imidazole
PubChem CID19358917
Molecular FormulaC17H17N2OP
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name1-(2-diphenylphosphorylethyl)imidazole
SMILESO=P(CCn1ccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N2OP/c20-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)14-13-19-12-11-18-15-19/h1-12,15H,13-14H2
InChIKeyAGOUWFRKIMMSAJ-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphorylethyl)imidazole?
The IUPAC name of 1-(2-diphenylphosphorylethyl)imidazole (CID 19358917) is 1-(2-diphenylphosphorylethyl)imidazole.
What is the SMILES notation for 1-(2-diphenylphosphorylethyl)imidazole?
The canonical SMILES for 1-(2-diphenylphosphorylethyl)imidazole is O=P(CCn1ccnc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphorylethyl)imidazole?
The InChIKey is AGOUWFRKIMMSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N2OP/c20-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)14-13-19-12-11-18-15-19/h1-12,15H,13-14H2.
What are the key properties of 1-(2-diphenylphosphorylethyl)imidazole?
1-(2-diphenylphosphorylethyl)imidazole has a molecular weight of 296.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphorylethyl)imidazole is sourced from PubChem (CID 19358917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).