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

C24H21ClN2O — CID 71737738

IUPAC(3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESC[C@H]1CN(Cc2ccccc2)[C@]2(c3ccc(Cl)cc3)c3ccccc3C(=O)N12
InChIInChI=1S/C24H21ClN2O/c1-17-15-26(16-18-7-3-2-4-8-18)24(19-11-13-20(25)14-12-19)22-10-6-5-9-21(22)23(28)27(17)24/h2-14,17H,15-16H2,1H3/t17-,24-/m0/s1
InChIKeyRIMKCZDGZFPGTK-XDHUDOTRSA-N
MW388.90 g/mol
LogP4.90
Rot. Bonds3

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

(3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 71737738) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is (3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name(3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID71737738
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name(3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESC[C@H]1CN(Cc2ccccc2)[C@]2(c3ccc(Cl)cc3)c3ccccc3C(=O)N12
InChIInChI=1S/C24H21ClN2O/c1-17-15-26(16-18-7-3-2-4-8-18)24(19-11-13-20(25)14-12-19)22-10-6-5-9-21(22)23(28)27(17)24/h2-14,17H,15-16H2,1H3/t17-,24-/m0/s1
InChIKeyRIMKCZDGZFPGTK-XDHUDOTRSA-N
XLogP4.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of (3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 71737738) is (3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for (3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for (3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one is C[C@H]1CN(Cc2ccccc2)[C@]2(c3ccc(Cl)cc3)c3ccccc3C(=O)N12.
What is the InChIKey of (3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is RIMKCZDGZFPGTK-XDHUDOTRSA-N. The full InChI is InChI=1S/C24H21ClN2O/c1-17-15-26(16-18-7-3-2-4-8-18)24(19-11-13-20(25)14-12-19)22-10-6-5-9-21(22)23(28)27(17)24/h2-14,17H,15-16H2,1H3/t17-,24-/m0/s1.
What are the key properties of (3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
(3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 388.90 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 71737738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).