1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one

C15H6Cl4N2O — CID 15404251

IUPAC1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one
SMILESCc1ccc2nc3n(c2c1)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-3
InChIInChI=1S/C15H6Cl4N2O/c1-5-2-3-6-7(4-5)21-14(20-6)8-9(15(21)22)11(17)13(19)12(18)10(8)16/h2-4H,1H3
InChIKeyFBSHSWWOCHVEJN-UHFFFAOYSA-N
MW372.04 g/mol
LogP5.63
Rot. Bonds

About 1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one

1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one (PubChem CID 15404251) has the molecular formula C15H6Cl4N2O and a molecular weight of 372.04 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one
PubChem CID15404251
Molecular FormulaC15H6Cl4N2O
Molecular Weight372.04 g/mol
Exact Mass369.92
IUPAC Name1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one
SMILESCc1ccc2nc3n(c2c1)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-3
InChIInChI=1S/C15H6Cl4N2O/c1-5-2-3-6-7(4-5)21-14(20-6)8-9(15(21)22)11(17)13(19)12(18)10(8)16/h2-4H,1H3
InChIKeyFBSHSWWOCHVEJN-UHFFFAOYSA-N
XLogP5.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.04
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one?
The IUPAC name of 1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one (CID 15404251) is 1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one.
What is the SMILES notation for 1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one?
The canonical SMILES for 1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one is Cc1ccc2nc3n(c2c1)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-3.
What is the InChIKey of 1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one?
The InChIKey is FBSHSWWOCHVEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl4N2O/c1-5-2-3-6-7(4-5)21-14(20-6)8-9(15(21)22)11(17)13(19)12(18)10(8)16/h2-4H,1H3.
What are the key properties of 1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one?
1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one has a molecular weight of 372.04 g/mol, XLogP of 5.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one is sourced from PubChem (CID 15404251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).