3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine

C19H22FN3 — CID 90215482

IUPAC3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine
SMILESCN1CCC(=C2c3ccccc3CCn3c(CF)cnc32)CC1
InChIInChI=1S/C19H22FN3/c1-22-9-6-15(7-10-22)18-17-5-3-2-4-14(17)8-11-23-16(12-20)13-21-19(18)23/h2-5,13H,6-12H2,1H3
InChIKeyUXUHOJAGJORPKQ-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.44
Rot. Bonds1

About 3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine

3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine (PubChem CID 90215482) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine.

Molecular Properties

Compound Name3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine
PubChem CID90215482
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC Name3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine
SMILESCN1CCC(=C2c3ccccc3CCn3c(CF)cnc32)CC1
InChIInChI=1S/C19H22FN3/c1-22-9-6-15(7-10-22)18-17-5-3-2-4-14(17)8-11-23-16(12-20)13-21-19(18)23/h2-5,13H,6-12H2,1H3
InChIKeyUXUHOJAGJORPKQ-UHFFFAOYSA-N
XLogP3.44
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine?
The IUPAC name of 3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine (CID 90215482) is 3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine.
What is the SMILES notation for 3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine?
The canonical SMILES for 3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine is CN1CCC(=C2c3ccccc3CCn3c(CF)cnc32)CC1.
What is the InChIKey of 3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine?
The InChIKey is UXUHOJAGJORPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3/c1-22-9-6-15(7-10-22)18-17-5-3-2-4-14(17)8-11-23-16(12-20)13-21-19(18)23/h2-5,13H,6-12H2,1H3.
What are the key properties of 3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine?
3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine has a molecular weight of 311.40 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine is sourced from PubChem (CID 90215482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).