2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole

C20H17N3O2S — CID 91314280

IUPAC2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole
SMILESCCCN1C(=O)c2ccccc2C1=O.c1ccc2c(c1)nc1sccn12
InChIInChI=1S/C11H11NO2.C9H6N2S/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14;1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h3-6H,2,7H2,1H3;1-6H
InChIKeyZSDRGJBHPZXVPV-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.24
Rot. Bonds2

About 2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole

2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 91314280) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID91314280
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole
SMILESCCCN1C(=O)c2ccccc2C1=O.c1ccc2c(c1)nc1sccn12
InChIInChI=1S/C11H11NO2.C9H6N2S/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14;1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h3-6H,2,7H2,1H3;1-6H
InChIKeyZSDRGJBHPZXVPV-UHFFFAOYSA-N
XLogP4.24
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole
CID 90811856
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[2-[2-(2-methylbenzimidazol-1-yl)ethylsulfonyl]ethyl]isoindole-1,3-dione
CID 70329737
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione
CID 14662143
2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione
CID 14662149
2-butyl-[1,2,4]thiadiazolo[4,5-a]benzimidazol-1-one
CID 13034031
2-fluoroprop-2-enoic acid;2-propylisoindole-1,3-dione
CID 142092331
8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
CID 57338139
6-methyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 14100430
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]methyl]isoindole-1,3-dione
CID 47059782

Frequently Asked Questions

What is the IUPAC name of 2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole (CID 91314280) is 2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole is CCCN1C(=O)c2ccccc2C1=O.c1ccc2c(c1)nc1sccn12.
What is the InChIKey of 2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is ZSDRGJBHPZXVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C9H6N2S/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14;1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h3-6H,2,7H2,1H3;1-6H.
What are the key properties of 2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole?
2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 363.44 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 91314280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).