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

C17H16N2O2 — CID 7332720

IUPAC(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
SMILESCOc1ccc([C@]23NCCN2C(=O)c2ccccc23)cc1
InChIInChI=1S/C17H16N2O2/c1-21-13-8-6-12(7-9-13)17-15-5-3-2-4-14(15)16(20)19(17)11-10-18-17/h2-9,18H,10-11H2,1H3/t17-/m0/s1
InChIKeyKDWCKGOSODDQET-KRWDZBQOSA-N
MW280.33 g/mol
LogP1.96
Rot. Bonds2

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

(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one (PubChem CID 7332720) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
PubChem CID7332720
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
SMILESCOc1ccc([C@]23NCCN2C(=O)c2ccccc23)cc1
InChIInChI=1S/C17H16N2O2/c1-21-13-8-6-12(7-9-13)17-15-5-3-2-4-14(15)16(20)19(17)11-10-18-17/h2-9,18H,10-11H2,1H3/t17-/m0/s1
InChIKeyKDWCKGOSODDQET-KRWDZBQOSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The IUPAC name of (9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one (CID 7332720) is (9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for (9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The canonical SMILES for (9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one is COc1ccc([C@]23NCCN2C(=O)c2ccccc23)cc1.
What is the InChIKey of (9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
The InChIKey is KDWCKGOSODDQET-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-13-8-6-12(7-9-13)17-15-5-3-2-4-14(15)16(20)19(17)11-10-18-17/h2-9,18H,10-11H2,1H3/t17-/m0/s1.
What are the key properties of (9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one?
(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one has a molecular weight of 280.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 7332720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).