9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C23H18ClFN2O — CID 59025936

IUPAC9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3ccc(Cl)cc3)N(Cc3ccc(F)cc3)CCN12
InChIInChI=1S/C23H18ClFN2O/c24-18-9-7-17(8-10-18)23-21-4-2-1-3-20(21)22(28)27(23)14-13-26(23)15-16-5-11-19(25)12-6-16/h1-12H,13-15H2
InChIKeyQQKYURINTAHTSK-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.65
Rot. Bonds3

About 9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one

9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025936) has the molecular formula C23H18ClFN2O and a molecular weight of 392.86 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025936
Molecular FormulaC23H18ClFN2O
Molecular Weight392.86 g/mol
Exact Mass392.11
IUPAC Name9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3ccc(Cl)cc3)N(Cc3ccc(F)cc3)CCN12
InChIInChI=1S/C23H18ClFN2O/c24-18-9-7-17(8-10-18)23-21-4-2-1-3-20(21)22(28)27(23)14-13-26(23)15-16-5-11-19(25)12-6-16/h1-12H,13-15H2
InChIKeyQQKYURINTAHTSK-UHFFFAOYSA-N
XLogP4.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025936) is 9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C1c2ccccc2C2(c3ccc(Cl)cc3)N(Cc3ccc(F)cc3)CCN12.
What is the InChIKey of 9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is QQKYURINTAHTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O/c24-18-9-7-17(8-10-18)23-21-4-2-1-3-20(21)22(28)27(23)14-13-26(23)15-16-5-11-19(25)12-6-16/h1-12H,13-15H2.
What are the key properties of 9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 392.86 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).