2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione

C14H13N3O2 — CID 19775949

IUPAC2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione
SMILESCc1[nH]cnc1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H13N3O2/c1-9-12(16-8-15-9)6-7-17-13(18)10-4-2-3-5-11(10)14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyGQQHHYNZQNWDTI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.56
Rot. Bonds3

About 2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione

2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione (PubChem CID 19775949) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione
PubChem CID19775949
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione
SMILESCc1[nH]cnc1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H13N3O2/c1-9-12(16-8-15-9)6-7-17-13(18)10-4-2-3-5-11(10)14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyGQQHHYNZQNWDTI-UHFFFAOYSA-N
XLogP1.56
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 707361
3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one
CID 14987249
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoindole-1,3-dione
CID 15670031
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
CID 1497777
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione
CID 133405428
2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione
CID 23247841
2-[2-(1-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]isoindole-1,3-dione
CID 10802980
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-[4-(6-methylpurin-9-yl)butyl]isoindole-1,3-dione
CID 11530108
2-[2-[2-[3-(4-methylphenyl)-3-phenylpropyl]-1H-imidazol-5-yl]ethyl]isoindole-1,3-dione
CID 10694811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione (CID 19775949) is 2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione is Cc1[nH]cnc1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione?
The InChIKey is GQQHHYNZQNWDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-12(16-8-15-9)6-7-17-13(18)10-4-2-3-5-11(10)14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione?
2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione has a molecular weight of 255.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 19775949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).