1-ethyl-2,3-diphenylimidazol-1-ium

C17H17N2+ — CID 87805363

IUPAC1-ethyl-2,3-diphenylimidazol-1-ium
SMILESCC[n+]1ccn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H17N2/c1-2-18-13-14-19(16-11-7-4-8-12-16)17(18)15-9-5-3-6-10-15/h3-14H,2H2,1H3/q+1
InChIKeyRSWOEXSQEYSVPX-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.45
Rot. Bonds3

About 1-ethyl-2,3-diphenylimidazol-1-ium

1-ethyl-2,3-diphenylimidazol-1-ium (PubChem CID 87805363) has the molecular formula C17H17N2+ and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-ethyl-2,3-diphenylimidazol-1-ium.

Molecular Properties

Compound Name1-ethyl-2,3-diphenylimidazol-1-ium
PubChem CID87805363
Molecular FormulaC17H17N2+
Molecular Weight249.34 g/mol
Exact Mass249.14
IUPAC Name1-ethyl-2,3-diphenylimidazol-1-ium
SMILESCC[n+]1ccn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H17N2/c1-2-18-13-14-19(16-11-7-4-8-12-16)17(18)15-9-5-3-6-10-15/h3-14H,2H2,1H3/q+1
InChIKeyRSWOEXSQEYSVPX-UHFFFAOYSA-N
XLogP3.45
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-diphenylimidazol-1-ium?
The IUPAC name of 1-ethyl-2,3-diphenylimidazol-1-ium (CID 87805363) is 1-ethyl-2,3-diphenylimidazol-1-ium.
What is the SMILES notation for 1-ethyl-2,3-diphenylimidazol-1-ium?
The canonical SMILES for 1-ethyl-2,3-diphenylimidazol-1-ium is CC[n+]1ccn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-ethyl-2,3-diphenylimidazol-1-ium?
The InChIKey is RSWOEXSQEYSVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N2/c1-2-18-13-14-19(16-11-7-4-8-12-16)17(18)15-9-5-3-6-10-15/h3-14H,2H2,1H3/q+1.
What are the key properties of 1-ethyl-2,3-diphenylimidazol-1-ium?
1-ethyl-2,3-diphenylimidazol-1-ium has a molecular weight of 249.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-diphenylimidazol-1-ium is sourced from PubChem (CID 87805363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).