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

C19H22F3N3O — CID 72695689

IUPAC11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
SMILESCN1CCC(OC2c3ccccc3CCn3cc(C(F)(F)F)nc32)CC1
InChIInChI=1S/C19H22F3N3O/c1-24-9-7-14(8-10-24)26-17-15-5-3-2-4-13(15)6-11-25-12-16(19(20,21)22)23-18(17)25/h2-5,12,14,17H,6-11H2,1H3
InChIKeyXRZNFTKBVKPACZ-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.66
Rot. Bonds2

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

11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine (PubChem CID 72695689) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine.

Molecular Properties

Compound Name11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
PubChem CID72695689
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
SMILESCN1CCC(OC2c3ccccc3CCn3cc(C(F)(F)F)nc32)CC1
InChIInChI=1S/C19H22F3N3O/c1-24-9-7-14(8-10-24)26-17-15-5-3-2-4-13(15)6-11-25-12-16(19(20,21)22)23-18(17)25/h2-5,12,14,17H,6-11H2,1H3
InChIKeyXRZNFTKBVKPACZ-UHFFFAOYSA-N
XLogP3.66
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
The IUPAC name of 11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine (CID 72695689) is 11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine.
What is the SMILES notation for 11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
The canonical SMILES for 11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine is CN1CCC(OC2c3ccccc3CCn3cc(C(F)(F)F)nc32)CC1.
What is the InChIKey of 11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
The InChIKey is XRZNFTKBVKPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-24-9-7-14(8-10-24)26-17-15-5-3-2-4-13(15)6-11-25-12-16(19(20,21)22)23-18(17)25/h2-5,12,14,17H,6-11H2,1H3.
What are the key properties of 11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine?
11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine has a molecular weight of 365.40 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine is sourced from PubChem (CID 72695689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).