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

C18H20ClN3 — CID 15285356

IUPAC8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine
SMILESCN1CCC(=C2c3ccc(Cl)cc3CCn3ccnc32)CC1
InChIInChI=1S/C18H20ClN3/c1-21-8-4-13(5-9-21)17-16-3-2-15(19)12-14(16)6-10-22-11-7-20-18(17)22/h2-3,7,11-12H,4-6,8-10H2,1H3
InChIKeyYABVGPCMUUNLCT-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.62
Rot. Bonds

About 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine

8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine (PubChem CID 15285356) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine.

Molecular Properties

Compound Name8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine
PubChem CID15285356
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine
SMILESCN1CCC(=C2c3ccc(Cl)cc3CCn3ccnc32)CC1
InChIInChI=1S/C18H20ClN3/c1-21-8-4-13(5-9-21)17-16-3-2-15(19)12-14(16)6-10-22-11-7-20-18(17)22/h2-3,7,11-12H,4-6,8-10H2,1H3
InChIKeyYABVGPCMUUNLCT-UHFFFAOYSA-N
XLogP3.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.62
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 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine?
The IUPAC name of 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine (CID 15285356) is 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine.
What is the SMILES notation for 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine?
The canonical SMILES for 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine is CN1CCC(=C2c3ccc(Cl)cc3CCn3ccnc32)CC1.
What is the InChIKey of 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine?
The InChIKey is YABVGPCMUUNLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3/c1-21-8-4-13(5-9-21)17-16-3-2-15(19)12-14(16)6-10-22-11-7-20-18(17)22/h2-3,7,11-12H,4-6,8-10H2,1H3.
What are the key properties of 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine?
8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine has a molecular weight of 313.83 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine is sourced from PubChem (CID 15285356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).