9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide

C24H19ClFN3O2 — CID 11270509

IUPAC9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClFN3O2/c25-18-9-7-17(8-10-18)24-21-4-2-1-3-20(21)22(30)28(24)13-14-29(24)23(31)27-15-16-5-11-19(26)12-6-16/h1-12H,13-15H2,(H,27,31)
InChIKeyZVXCSBYUBBRIDW-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.36
Rot. Bonds3

About 9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide

9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide (PubChem CID 11270509) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
PubChem CID11270509
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC Name9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClFN3O2/c25-18-9-7-17(8-10-18)24-21-4-2-1-3-20(21)22(30)28(24)13-14-29(24)23(31)27-15-16-5-11-19(26)12-6-16/h1-12H,13-15H2,(H,27,31)
InChIKeyZVXCSBYUBBRIDW-UHFFFAOYSA-N
XLogP4.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The IUPAC name of 9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide (CID 11270509) is 9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide.
What is the SMILES notation for 9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The canonical SMILES for 9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The InChIKey is ZVXCSBYUBBRIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c25-18-9-7-17(8-10-18)24-21-4-2-1-3-20(21)22(30)28(24)13-14-29(24)23(31)27-15-16-5-11-19(26)12-6-16/h1-12H,13-15H2,(H,27,31).
What are the key properties of 9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide is sourced from PubChem (CID 11270509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).