3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid

C15H15FN2O2 — CID 28819560

IUPAC3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2
InChIInChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)14-17-13(15(19)20)12-4-2-1-3-9-18(12)14/h5-8H,1-4,9H2,(H,19,20)
InChIKeyXNFODVDNLZQGJX-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.11
Rot. Bonds2

About 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid

3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid (PubChem CID 28819560) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid
PubChem CID28819560
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2
InChIInChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)14-17-13(15(19)20)12-4-2-1-3-9-18(12)14/h5-8H,1-4,9H2,(H,19,20)
InChIKeyXNFODVDNLZQGJX-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid (CID 28819560) is 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid is O=C(O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2.
What is the InChIKey of 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid?
The InChIKey is XNFODVDNLZQGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)14-17-13(15(19)20)12-4-2-1-3-9-18(12)14/h5-8H,1-4,9H2,(H,19,20).
What are the key properties of 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid?
3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid is sourced from PubChem (CID 28819560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).