9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

C17H13N3O2 — CID 23178379

IUPAC9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc4[nH]cnc34)OCCN12
InChIInChI=1S/C17H13N3O2/c21-16-11-4-1-2-5-12(11)17(20(16)8-9-22-17)13-6-3-7-14-15(13)19-10-18-14/h1-7,10H,8-9H2,(H,18,19)
InChIKeyZLECYYRHQZMSJV-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.25
Rot. Bonds1

About 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 23178379) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID23178379
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc4[nH]cnc34)OCCN12
InChIInChI=1S/C17H13N3O2/c21-16-11-4-1-2-5-12(11)17(20(16)8-9-22-17)13-6-3-7-14-15(13)19-10-18-14/h1-7,10H,8-9H2,(H,18,19)
InChIKeyZLECYYRHQZMSJV-UHFFFAOYSA-N
XLogP2.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 23178379) is 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2C2(c3cccc4[nH]cnc34)OCCN12.
What is the InChIKey of 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is ZLECYYRHQZMSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16-11-4-1-2-5-12(11)17(20(16)8-9-22-17)13-6-3-7-14-15(13)19-10-18-14/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 291.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 23178379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).