2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione

C14H11Cl2N3O2 — CID 2779187

IUPAC2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1cnc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-11-12(16)18(8-17-11)6-3-7-19-13(20)9-4-1-2-5-10(9)14(19)21/h1-2,4-5,8H,3,6-7H2
InChIKeyIZVHFKIICYYCJU-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.88
Rot. Bonds4

About 2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione

2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione (PubChem CID 2779187) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione
PubChem CID2779187
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1cnc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N3O2/c15-11-12(16)18(8-17-11)6-3-7-19-13(20)9-4-1-2-5-10(9)14(19)21/h1-2,4-5,8H,3,6-7H2
InChIKeyIZVHFKIICYYCJU-UHFFFAOYSA-N
XLogP2.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione
CID 90160720
2-[3-(1,3-dimethyl-2-oxo-6-sulfanylidenepurin-7-yl)propyl]isoindole-1,3-dione
CID 164804714
iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione
CID 145497513
2-[4-(6-methylpurin-9-yl)butyl]isoindole-1,3-dione
CID 11530108
2-[3-(2-nitroimidazol-1-yl)propyl]isoindole-1,3-dione
CID 641838
CID 57427465
CID 57427465
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 103734065
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-[4-(4-chlorophenoxy)butyl]isoindole-1,3-dione
CID 2296874
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione (CID 2779187) is 2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCn1cnc(Cl)c1Cl.
What is the InChIKey of 2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is IZVHFKIICYYCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-11-12(16)18(8-17-11)6-3-7-19-13(20)9-4-1-2-5-10(9)14(19)21/h1-2,4-5,8H,3,6-7H2.
What are the key properties of 2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione?
2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 324.17 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dichloroimidazol-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 2779187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).