2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine

C24H26FN3O — CID 72694775

IUPAC2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
SMILESCN1CCC(OC2c3ccccc3CCn3cc(-c4cccc(F)c4)nc32)CC1
InChIInChI=1S/C24H26FN3O/c1-27-12-10-20(11-13-27)29-23-21-8-3-2-5-17(21)9-14-28-16-22(26-24(23)28)18-6-4-7-19(25)15-18/h2-8,15-16,20,23H,9-14H2,1H3
InChIKeyGSGSOFCHBUHZRK-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.45
Rot. Bonds3

About 2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine

2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine (PubChem CID 72694775) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
PubChem CID72694775
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
SMILESCN1CCC(OC2c3ccccc3CCn3cc(-c4cccc(F)c4)nc32)CC1
InChIInChI=1S/C24H26FN3O/c1-27-12-10-20(11-13-27)29-23-21-8-3-2-5-17(21)9-14-28-16-22(26-24(23)28)18-6-4-7-19(25)15-18/h2-8,15-16,20,23H,9-14H2,1H3
InChIKeyGSGSOFCHBUHZRK-UHFFFAOYSA-N
XLogP4.45
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
The IUPAC name of 2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine (CID 72694775) is 2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine.
What is the SMILES notation for 2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
The canonical SMILES for 2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine is CN1CCC(OC2c3ccccc3CCn3cc(-c4cccc(F)c4)nc32)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
The InChIKey is GSGSOFCHBUHZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-27-12-10-20(11-13-27)29-23-21-8-3-2-5-17(21)9-14-28-16-22(26-24(23)28)18-6-4-7-19(25)15-18/h2-8,15-16,20,23H,9-14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine has a molecular weight of 391.49 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-11-(1-methylpiperidin-4-yl)oxy-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine is sourced from PubChem (CID 72694775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).