(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

C31H26Cl2N4O — CID 121309721

IUPAC(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C31H26Cl2N4O/c32-26-11-6-23(7-12-26)30-28(37-20-25(10-15-29(37)34-30)22-4-2-1-3-5-22)21-35-16-18-36(19-17-35)31(38)24-8-13-27(33)14-9-24/h1-15,20H,16-19,21H2
InChIKeyGLNJEOUOZPETCY-UHFFFAOYSA-N
MW541.48 g/mol
LogP6.93
Rot. Bonds5

About (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 121309721) has the molecular formula C31H26Cl2N4O and a molecular weight of 541.48 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID121309721
Molecular FormulaC31H26Cl2N4O
Molecular Weight541.48 g/mol
Exact Mass540.15
IUPAC Name(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C31H26Cl2N4O/c32-26-11-6-23(7-12-26)30-28(37-20-25(10-15-29(37)34-30)22-4-2-1-3-5-22)21-35-16-18-36(19-17-35)31(38)24-8-13-27(33)14-9-24/h1-15,20H,16-19,21H2
InChIKeyGLNJEOUOZPETCY-UHFFFAOYSA-N
XLogP6.93
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.48
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone 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 (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (CID 121309721) is (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is GLNJEOUOZPETCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26Cl2N4O/c32-26-11-6-23(7-12-26)30-28(37-20-25(10-15-29(37)34-30)22-4-2-1-3-5-22)21-35-16-18-36(19-17-35)31(38)24-8-13-27(33)14-9-24/h1-15,20H,16-19,21H2.
What are the key properties of (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 541.48 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 121309721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).