2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione

C15H15N3O2 — CID 103430846

IUPAC2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(CCc1ncc[nH]1)C2=O
InChIInChI=1S/C15H15N3O2/c1-9-3-4-10(2)13-12(9)14(19)18(15(13)20)8-5-11-16-6-7-17-11/h3-4,6-7H,5,8H2,1-2H3,(H,16,17)
InChIKeyTYLMMTHAKCANSF-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.87
Rot. Bonds3

About 2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione

2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430846) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione
PubChem CID103430846
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(CCc1ncc[nH]1)C2=O
InChIInChI=1S/C15H15N3O2/c1-9-3-4-10(2)13-12(9)14(19)18(15(13)20)8-5-11-16-6-7-17-11/h3-4,6-7H,5,8H2,1-2H3,(H,16,17)
InChIKeyTYLMMTHAKCANSF-UHFFFAOYSA-N
XLogP1.87
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione (CID 103430846) is 2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(CCc1ncc[nH]1)C2=O.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione?
The InChIKey is TYLMMTHAKCANSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-3-4-10(2)13-12(9)14(19)18(15(13)20)8-5-11-16-6-7-17-11/h3-4,6-7H,5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione?
2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione has a molecular weight of 269.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)ethyl]-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).