sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate

C15H11N2NaO2 — CID 23679632

IUPACsodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate
SMILESO=C1NC([O-])=NC1(c1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1
InChIKeyFJPYVLNWWICYDW-UHFFFAOYSA-M
MW274.26 g/mol
LogP-2.22
Rot. Bonds2

About sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate

sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate (PubChem CID 23679632) has the molecular formula C15H11N2NaO2 and a molecular weight of 274.26 g/mol. Its IUPAC name is sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate.

Molecular Properties

Compound Namesodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate
PubChem CID23679632
Molecular FormulaC15H11N2NaO2
Molecular Weight274.26 g/mol
Exact Mass274.07
IUPAC Namesodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate
SMILESO=C1NC([O-])=NC1(c1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1
InChIKeyFJPYVLNWWICYDW-UHFFFAOYSA-M
XLogP-2.22
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-2.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate?
The IUPAC name of sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate (CID 23679632) is sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate.
What is the SMILES notation for sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate?
The canonical SMILES for sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate is O=C1NC([O-])=NC1(c1ccccc1)c1ccccc1.[Na+].
What is the InChIKey of sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate?
The InChIKey is FJPYVLNWWICYDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1.
What are the key properties of sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate?
sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate has a molecular weight of 274.26 g/mol, XLogP of -2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-oxo-4,4-diphenyl-1H-imidazol-2-olate is sourced from PubChem (CID 23679632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).