1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine

C24H27Cl2N3 — CID 44514873

IUPAC1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine
SMILESCCc1c(CN2CCN(C)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl2N3/c1-3-23-19(17-28-14-12-27(2)13-15-28)16-24(18-4-6-20(25)7-5-18)29(23)22-10-8-21(26)9-11-22/h4-11,16H,3,12-15,17H2,1-2H3
InChIKeyMUBGVUXFJWJFGJ-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.76
Rot. Bonds5

About 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine

1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine (PubChem CID 44514873) has the molecular formula C24H27Cl2N3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine
PubChem CID44514873
Molecular FormulaC24H27Cl2N3
Molecular Weight428.41 g/mol
Exact Mass427.16
IUPAC Name1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine
SMILESCCc1c(CN2CCN(C)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl2N3/c1-3-23-19(17-28-14-12-27(2)13-15-28)16-24(18-4-6-20(25)7-5-18)29(23)22-10-8-21(26)9-11-22/h4-11,16H,3,12-15,17H2,1-2H3
InChIKeyMUBGVUXFJWJFGJ-UHFFFAOYSA-N
XLogP5.76
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine 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 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine (CID 44514873) is 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine is CCc1c(CN2CCN(C)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine?
The InChIKey is MUBGVUXFJWJFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3/c1-3-23-19(17-28-14-12-27(2)13-15-28)16-24(18-4-6-20(25)7-5-18)29(23)22-10-8-21(26)9-11-22/h4-11,16H,3,12-15,17H2,1-2H3.
What are the key properties of 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine?
1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine has a molecular weight of 428.41 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,5-bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 44514873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).