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

C11H8Cl2N2O2 — CID 155815830

IUPAC7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)c2c1nc1n2CCCC1
InChIInChI=1S/C11H8Cl2N2O2/c12-6-7(13)11(17)9-8(10(6)16)14-5-3-1-2-4-15(5)9/h1-4H2
InChIKeyWILNZFAEFLHSQS-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.29
Rot. Bonds

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

7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione (PubChem CID 155815830) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione.

Molecular Properties

Compound Name7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione
PubChem CID155815830
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)c2c1nc1n2CCCC1
InChIInChI=1S/C11H8Cl2N2O2/c12-6-7(13)11(17)9-8(10(6)16)14-5-3-1-2-4-15(5)9/h1-4H2
InChIKeyWILNZFAEFLHSQS-UHFFFAOYSA-N
XLogP2.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione?
The IUPAC name of 7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione (CID 155815830) is 7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione.
What is the SMILES notation for 7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione?
The canonical SMILES for 7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione is O=C1C(Cl)=C(Cl)C(=O)c2c1nc1n2CCCC1.
What is the InChIKey of 7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione?
The InChIKey is WILNZFAEFLHSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c12-6-7(13)11(17)9-8(10(6)16)14-5-3-1-2-4-15(5)9/h1-4H2.
What are the key properties of 7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione?
7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione has a molecular weight of 271.10 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6,9-dione is sourced from PubChem (CID 155815830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).