6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

C11H8Cl4N2 — CID 165351379

IUPAC6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESClc1c(Cl)c(Cl)c2c(nc3n2CCCC3)c1Cl
InChIInChI=1S/C11H8Cl4N2/c12-6-7(13)9(15)11-10(8(6)14)16-5-3-1-2-4-17(5)11/h1-4H2
InChIKeyVJBAOJJDYKZEQK-UHFFFAOYSA-N
MW310.01 g/mol
LogP4.99
Rot. Bonds

About 6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 165351379) has the molecular formula C11H8Cl4N2 and a molecular weight of 310.01 g/mol. Its IUPAC name is 6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID165351379
Molecular FormulaC11H8Cl4N2
Molecular Weight310.01 g/mol
Exact Mass307.94
IUPAC Name6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESClc1c(Cl)c(Cl)c2c(nc3n2CCCC3)c1Cl
InChIInChI=1S/C11H8Cl4N2/c12-6-7(13)9(15)11-10(8(6)14)16-5-3-1-2-4-17(5)11/h1-4H2
InChIKeyVJBAOJJDYKZEQK-UHFFFAOYSA-N
XLogP4.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.01
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (CID 165351379) is 6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is Clc1c(Cl)c(Cl)c2c(nc3n2CCCC3)c1Cl.
What is the InChIKey of 6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is VJBAOJJDYKZEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl4N2/c12-6-7(13)9(15)11-10(8(6)14)16-5-3-1-2-4-17(5)11/h1-4H2.
What are the key properties of 6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 310.01 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 165351379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).