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

C20H17ClN2O2 — CID 59025799

IUPAC9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)C1CC1
InChIInChI=1S/C20H17ClN2O2/c21-15-9-7-14(8-10-15)20-17-4-2-1-3-16(17)19(25)23(20)12-11-22(20)18(24)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2
InChIKeyDILKNXNQZMMRFL-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.25
Rot. Bonds2

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

9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025799) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025799
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)C1CC1
InChIInChI=1S/C20H17ClN2O2/c21-15-9-7-14(8-10-15)20-17-4-2-1-3-16(17)19(25)23(20)12-11-22(20)18(24)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2
InChIKeyDILKNXNQZMMRFL-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.25
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-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025799) is 9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C1c2ccccc2C2(c3ccc(Cl)cc3)N1CCN2C(=O)C1CC1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is DILKNXNQZMMRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-15-9-7-14(8-10-15)20-17-4-2-1-3-16(17)19(25)23(20)12-11-22(20)18(24)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2.
What are the key properties of 9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 352.82 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).