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

C20H15ClN4O2S — CID 11315857

IUPAC9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCc1nnsc1C(=O)N1CCN2C(=O)c3ccccc3C21c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O2S/c1-12-17(28-23-22-12)19(27)25-11-10-24-18(26)15-4-2-3-5-16(15)20(24,25)13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3
InChIKeyPINFDTHNZYJDMX-UHFFFAOYSA-N
MW410.89 g/mol
LogP3.31
Rot. Bonds2

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

9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 11315857) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID11315857
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC Name9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCc1nnsc1C(=O)N1CCN2C(=O)c3ccccc3C21c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O2S/c1-12-17(28-23-22-12)19(27)25-11-10-24-18(26)15-4-2-3-5-16(15)20(24,25)13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3
InChIKeyPINFDTHNZYJDMX-UHFFFAOYSA-N
XLogP3.31
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 11315857) is 9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is Cc1nnsc1C(=O)N1CCN2C(=O)c3ccccc3C21c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is PINFDTHNZYJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-12-17(28-23-22-12)19(27)25-11-10-24-18(26)15-4-2-3-5-16(15)20(24,25)13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 410.89 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 11315857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).