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

C24H25ClN2O2 — CID 59025788

IUPAC9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(CC1CCCCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O2/c25-19-12-10-18(11-13-19)24-21-9-5-4-8-20(21)23(29)27(24)15-14-26(24)22(28)16-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2
InChIKeyLTOSNLRMOKDOMV-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.81
Rot. Bonds3

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

9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025788) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025788
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(CC1CCCCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O2/c25-19-12-10-18(11-13-19)24-21-9-5-4-8-20(21)23(29)27(24)15-14-26(24)22(28)16-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2
InChIKeyLTOSNLRMOKDOMV-UHFFFAOYSA-N
XLogP4.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.81
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-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025788) is 9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(CC1CCCCC1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is LTOSNLRMOKDOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c25-19-12-10-18(11-13-19)24-21-9-5-4-8-20(21)23(29)27(24)15-14-26(24)22(28)16-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2.
What are the key properties of 9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 408.93 g/mol, XLogP of 4.81, 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-(2-cyclohexylacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).