5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid

C24H19FN2O2 — CID 175769261

IUPAC5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid
SMILESO=C(O)C1(CCc2ccc(F)cc2)Cn2c(nc3ccccc32)-c2ccccc21
InChIInChI=1S/C24H19FN2O2/c25-17-11-9-16(10-12-17)13-14-24(23(28)29)15-27-21-8-4-3-7-20(21)26-22(27)18-5-1-2-6-19(18)24/h1-12H,13-15H2,(H,28,29)
InChIKeyKLFVVFGWBKZEIJ-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.81
Rot. Bonds4

About 5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid

5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid (PubChem CID 175769261) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid
PubChem CID175769261
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid
SMILESO=C(O)C1(CCc2ccc(F)cc2)Cn2c(nc3ccccc32)-c2ccccc21
InChIInChI=1S/C24H19FN2O2/c25-17-11-9-16(10-12-17)13-14-24(23(28)29)15-27-21-8-4-3-7-20(21)26-22(27)18-5-1-2-6-19(18)24/h1-12H,13-15H2,(H,28,29)
InChIKeyKLFVVFGWBKZEIJ-UHFFFAOYSA-N
XLogP4.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid?
The IUPAC name of 5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid (CID 175769261) is 5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid is O=C(O)C1(CCc2ccc(F)cc2)Cn2c(nc3ccccc32)-c2ccccc21.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid?
The InChIKey is KLFVVFGWBKZEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c25-17-11-9-16(10-12-17)13-14-24(23(28)29)15-27-21-8-4-3-7-20(21)26-22(27)18-5-1-2-6-19(18)24/h1-12H,13-15H2,(H,28,29).
What are the key properties of 5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid?
5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethyl]-6H-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid is sourced from PubChem (CID 175769261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).