2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione

C20H13N3O3 — CID 665056

IUPAC2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione
SMILESCc1ccc(-c2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3[nH]2)o1
InChIInChI=1S/C20H13N3O3/c1-11-6-9-17(26-11)18-21-15-8-7-12(10-16(15)22-18)23-19(24)13-4-2-3-5-14(13)20(23)25/h2-10H,1H3,(H,21,22)
InChIKeyGDZNNEUTRKXOIN-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.93
Rot. Bonds2

About 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione

2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione (PubChem CID 665056) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione
PubChem CID665056
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione
SMILESCc1ccc(-c2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3[nH]2)o1
InChIInChI=1S/C20H13N3O3/c1-11-6-9-17(26-11)18-21-15-8-7-12(10-16(15)22-18)23-19(24)13-4-2-3-5-14(13)20(23)25/h2-10H,1H3,(H,21,22)
InChIKeyGDZNNEUTRKXOIN-UHFFFAOYSA-N
XLogP3.93
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione (CID 665056) is 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione is Cc1ccc(-c2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3[nH]2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione?
The InChIKey is GDZNNEUTRKXOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c1-11-6-9-17(26-11)18-21-15-8-7-12(10-16(15)22-18)23-19(24)13-4-2-3-5-14(13)20(23)25/h2-10H,1H3,(H,21,22).
What are the key properties of 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione?
2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione has a molecular weight of 343.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 665056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).