N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

C21H18F3N3O — CID 6626041

IUPACN-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nc(-c2cccc(F)c2)n2c1CCCCC2
InChIInChI=1S/C21H18F3N3O/c22-14-6-4-5-13(11-14)20-26-19(18-7-2-1-3-10-27(18)20)21(28)25-17-9-8-15(23)12-16(17)24/h4-6,8-9,11-12H,1-3,7,10H2,(H,25,28)
InChIKeyIQDARLZTBHPNBV-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.95
Rot. Bonds3

About N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (PubChem CID 6626041) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
PubChem CID6626041
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nc(-c2cccc(F)c2)n2c1CCCCC2
InChIInChI=1S/C21H18F3N3O/c22-14-6-4-5-13(11-14)20-26-19(18-7-2-1-3-10-27(18)20)21(28)25-17-9-8-15(23)12-16(17)24/h4-6,8-9,11-12H,1-3,7,10H2,(H,25,28)
InChIKeyIQDARLZTBHPNBV-UHFFFAOYSA-N
XLogP4.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (CID 6626041) is N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is O=C(Nc1ccc(F)cc1F)c1nc(-c2cccc(F)c2)n2c1CCCCC2.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The InChIKey is IQDARLZTBHPNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c22-14-6-4-5-13(11-14)20-26-19(18-7-2-1-3-10-27(18)20)21(28)25-17-9-8-15(23)12-16(17)24/h4-6,8-9,11-12H,1-3,7,10H2,(H,25,28).
What are the key properties of N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is sourced from PubChem (CID 6626041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).