(2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium)

C23H28N2OY2-2 — CID 145493109

IUPAC(2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium)
SMILESCC.CC.O=c1cccc2n1C(c1cc[c-]cc1)[C@@H](c1cc[c-]cc1)N2.[H][H].[Y].[Y]
InChIInChI=1S/C19H14N2O.2C2H6.2Y.H2/c22-17-13-7-12-16-20-18(14-8-3-1-4-9-14)19(21(16)17)15-10-5-2-6-11-15;2*1-2;;;/h3-13,18-20H;2*1-2H3;;;1H/q-2;;;;;/t18-,19?;;;;;/m1...../s1
InChIKeyYXIINCCXEZNEEC-FJGGEJPPSA-N
MW526.30 g/mol
LogP5.50
Rot. Bonds2

About (2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium)

(2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium) (PubChem CID 145493109) has the molecular formula C23H28N2OY2-2 and a molecular weight of 526.30 g/mol. Its IUPAC name is (2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium).

Molecular Properties

Compound Name(2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium)
PubChem CID145493109
Molecular FormulaC23H28N2OY2-2
Molecular Weight526.30 g/mol
Exact Mass526.03
IUPAC Name(2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium)
SMILESCC.CC.O=c1cccc2n1C(c1cc[c-]cc1)[C@@H](c1cc[c-]cc1)N2.[H][H].[Y].[Y]
InChIInChI=1S/C19H14N2O.2C2H6.2Y.H2/c22-17-13-7-12-16-20-18(14-8-3-1-4-9-14)19(21(16)17)15-10-5-2-6-11-15;2*1-2;;;/h3-13,18-20H;2*1-2H3;;;1H/q-2;;;;;/t18-,19?;;;;;/m1...../s1
InChIKeyYXIINCCXEZNEEC-FJGGEJPPSA-N
XLogP5.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.30
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium)?
The IUPAC name of (2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium) (CID 145493109) is (2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium).
What is the SMILES notation for (2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium)?
The canonical SMILES for (2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium) is CC.CC.O=c1cccc2n1C(c1cc[c-]cc1)[C@@H](c1cc[c-]cc1)N2.[H][H].[Y].[Y].
What is the InChIKey of (2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium)?
The InChIKey is YXIINCCXEZNEEC-FJGGEJPPSA-N. The full InChI is InChI=1S/C19H14N2O.2C2H6.2Y.H2/c22-17-13-7-12-16-20-18(14-8-3-1-4-9-14)19(21(16)17)15-10-5-2-6-11-15;2*1-2;;;/h3-13,18-20H;2*1-2H3;;;1H/q-2;;;;;/t18-,19?;;;;;/m1...../s1.
What are the key properties of (2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium)?
(2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium) has a molecular weight of 526.30 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;ethane;molecular hydrogen;bis(yttrium) is sourced from PubChem (CID 145493109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).