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

C24H26FN3O — CID 72695386

IUPAC7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
SMILESCN1CCC(OC2c3cccc(F)c3CCn3cc(-c4ccccc4)nc32)CC1
InChIInChI=1S/C24H26FN3O/c1-27-13-10-18(11-14-27)29-23-20-8-5-9-21(25)19(20)12-15-28-16-22(26-24(23)28)17-6-3-2-4-7-17/h2-9,16,18,23H,10-15H2,1H3
InChIKeyNAQWWBZBPQXQBI-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.45
Rot. Bonds3

About 7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine

7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine (PubChem CID 72695386) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine.

Molecular Properties

Compound Name7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
PubChem CID72695386
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
SMILESCN1CCC(OC2c3cccc(F)c3CCn3cc(-c4ccccc4)nc32)CC1
InChIInChI=1S/C24H26FN3O/c1-27-13-10-18(11-14-27)29-23-20-8-5-9-21(25)19(20)12-15-28-16-22(26-24(23)28)17-6-3-2-4-7-17/h2-9,16,18,23H,10-15H2,1H3
InChIKeyNAQWWBZBPQXQBI-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 7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
The IUPAC name of 7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine (CID 72695386) is 7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine.
What is the SMILES notation for 7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
The canonical SMILES for 7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine is CN1CCC(OC2c3cccc(F)c3CCn3cc(-c4ccccc4)nc32)CC1.
What is the InChIKey of 7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
The InChIKey is NAQWWBZBPQXQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-27-13-10-18(11-14-27)29-23-20-8-5-9-21(25)19(20)12-15-28-16-22(26-24(23)28)17-6-3-2-4-7-17/h2-9,16,18,23H,10-15H2,1H3.
What are the key properties of 7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-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 7-fluoro-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine is sourced from PubChem (CID 72695386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).