(9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one

C16H13ClN2O — CID 752307

IUPAC(9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)NCCN12
InChIInChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16-14-4-2-1-3-13(14)15(20)19(16)10-9-18-16/h1-8,18H,9-10H2/t16-/m0/s1
InChIKeyWUFFYAFXNGRHNO-INIZCTEOSA-N
MW284.75 g/mol
LogP2.60
Rot. Bonds1

About (9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one

(9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one (PubChem CID 752307) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is (9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name(9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
PubChem CID752307
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name(9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)NCCN12
InChIInChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16-14-4-2-1-3-13(14)15(20)19(16)10-9-18-16/h1-8,18H,9-10H2/t16-/m0/s1
InChIKeyWUFFYAFXNGRHNO-INIZCTEOSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
CID 7332720
9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one;9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;hydrate
CID 162051787
2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide
CID 59025915
4b-(4-chlorophenyl)-5a,6,7,8,9,9a-hexahydro-5H-isoindolo[2,1-a]benzimidazol-11-one
CID 500403
9b-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025936
2-(4-methoxyphenyl)-3,6,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-7-one
CID 10826741
1-(4-chlorobenzoyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59026023
1-benzyl-10b-(4-chlorophenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 59025765
9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 3724239
9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59026070
9b-(4-chlorophenyl)-1-[(4-chlorophenyl)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;1-[(4-chlorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;1-[(4-chlorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one;1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one;1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 158995367
11b-(4-chlorophenyl)-1-(4-fluorobenzoyl)-2,3,4,5-tetrahydro-[1,3]diazepino[2,1-a]isoindol-7-one
CID 59026057

Frequently Asked Questions

What is the IUPAC name of (9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The IUPAC name of (9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one (CID 752307) is (9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for (9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The canonical SMILES for (9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one is O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)NCCN12.
What is the InChIKey of (9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The InChIKey is WUFFYAFXNGRHNO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16-14-4-2-1-3-13(14)15(20)19(16)10-9-18-16/h1-8,18H,9-10H2/t16-/m0/s1.
What are the key properties of (9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
(9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one has a molecular weight of 284.75 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9bS)-9b-(4-chlorophenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 752307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).