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

C23H18ClN3O2 — CID 3727447

IUPACN-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1
InChIInChI=1S/C23H18ClN3O2/c24-17-9-6-10-18(15-17)25-22(29)27-14-13-26-21(28)19-11-4-5-12-20(19)23(26,27)16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,25,29)
InChIKeyFQQIMKOHFSKRNY-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.54
Rot. Bonds2

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

N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide (PubChem CID 3727447) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
PubChem CID3727447
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1
InChIInChI=1S/C23H18ClN3O2/c24-17-9-6-10-18(15-17)25-22(29)27-14-13-26-21(28)19-11-4-5-12-20(19)23(26,27)16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,25,29)
InChIKeyFQQIMKOHFSKRNY-UHFFFAOYSA-N
XLogP4.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide (CID 3727447) is N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The InChIKey is FQQIMKOHFSKRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-17-9-6-10-18(15-17)25-22(29)27-14-13-26-21(28)19-11-4-5-12-20(19)23(26,27)16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,25,29).
What are the key properties of N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide is sourced from PubChem (CID 3727447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).