5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline

C27H16F2N2 — CID 162400147

IUPAC5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline
SMILESFc1ccc(-c2c(-c3ccc(F)cc3)n3c4ccccc4nc3c3ccccc23)cc1
InChIInChI=1S/C27H16F2N2/c28-19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)27-30-23-7-3-4-8-24(23)31(27)26(25)18-11-15-20(29)16-12-18/h1-16H
InChIKeyHLXUILLVNQAJBE-UHFFFAOYSA-N
MW406.44 g/mol
LogP7.25
Rot. Bonds2

About 5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline

5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline (PubChem CID 162400147) has the molecular formula C27H16F2N2 and a molecular weight of 406.44 g/mol. Its IUPAC name is 5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline
PubChem CID162400147
Molecular FormulaC27H16F2N2
Molecular Weight406.44 g/mol
Exact Mass406.13
IUPAC Name5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline
SMILESFc1ccc(-c2c(-c3ccc(F)cc3)n3c4ccccc4nc3c3ccccc23)cc1
InChIInChI=1S/C27H16F2N2/c28-19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)27-30-23-7-3-4-8-24(23)31(27)26(25)18-11-15-20(29)16-12-18/h1-16H
InChIKeyHLXUILLVNQAJBE-UHFFFAOYSA-N
XLogP7.25
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline (CID 162400147) is 5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline is Fc1ccc(-c2c(-c3ccc(F)cc3)n3c4ccccc4nc3c3ccccc23)cc1.
What is the InChIKey of 5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline?
The InChIKey is HLXUILLVNQAJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F2N2/c28-19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)27-30-23-7-3-4-8-24(23)31(27)26(25)18-11-15-20(29)16-12-18/h1-16H.
What are the key properties of 5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline?
5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline has a molecular weight of 406.44 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-fluorophenyl)benzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 162400147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).