5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine

C23H24N4 — CID 142632153

IUPAC5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine
SMILESC1=c2ccccc2=Cc2nccn2C1=C1CCN(CCn2cccc2)CC1
InChIInChI=1S/C23H24N4/c1-2-6-21-18-23-24-9-14-27(23)22(17-20(21)5-1)19-7-12-26(13-8-19)16-15-25-10-3-4-11-25/h1-6,9-11,14,17-18H,7-8,12-13,15-16H2
InChIKeyBGIKPQJYYYTHSC-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.31
Rot. Bonds3

About 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine

5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine (PubChem CID 142632153) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine.

Molecular Properties

Compound Name5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine
PubChem CID142632153
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine
SMILESC1=c2ccccc2=Cc2nccn2C1=C1CCN(CCn2cccc2)CC1
InChIInChI=1S/C23H24N4/c1-2-6-21-18-23-24-9-14-27(23)22(17-20(21)5-1)19-7-12-26(13-8-19)16-15-25-10-3-4-11-25/h1-6,9-11,14,17-18H,7-8,12-13,15-16H2
InChIKeyBGIKPQJYYYTHSC-UHFFFAOYSA-N
XLogP2.31
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine?
The IUPAC name of 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine (CID 142632153) is 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine.
What is the SMILES notation for 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine?
The canonical SMILES for 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine is C1=c2ccccc2=Cc2nccn2C1=C1CCN(CCn2cccc2)CC1.
What is the InChIKey of 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine?
The InChIKey is BGIKPQJYYYTHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-2-6-21-18-23-24-9-14-27(23)22(17-20(21)5-1)19-7-12-26(13-8-19)16-15-25-10-3-4-11-25/h1-6,9-11,14,17-18H,7-8,12-13,15-16H2.
What are the key properties of 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine?
5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine has a molecular weight of 356.47 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-pyrrol-1-ylethyl)piperidin-4-ylidene]imidazo[1,2-c][3]benzazepine is sourced from PubChem (CID 142632153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).