[5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C26H22Cl3N3O — CID 25250231

IUPAC[5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C26H22Cl3N3O/c1-30-23-10-9-20(29)16-22(23)24(17-5-7-18(27)8-6-17)25(30)26(33)32-13-11-31(12-14-32)21-4-2-3-19(28)15-21/h2-10,15-16H,11-14H2,1H3
InChIKeyKFHWYZUAOIYSDM-UHFFFAOYSA-N
MW498.84 g/mol
LogP6.77
Rot. Bonds3

About [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

[5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 25250231) has the molecular formula C26H22Cl3N3O and a molecular weight of 498.84 g/mol. Its IUPAC name is [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID25250231
Molecular FormulaC26H22Cl3N3O
Molecular Weight498.84 g/mol
Exact Mass497.08
IUPAC Name[5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C26H22Cl3N3O/c1-30-23-10-9-20(29)16-22(23)24(17-5-7-18(27)8-6-17)25(30)26(33)32-13-11-31(12-14-32)21-4-2-3-19(28)15-21/h2-10,15-16H,11-14H2,1H3
InChIKeyKFHWYZUAOIYSDM-UHFFFAOYSA-N
XLogP6.77
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.84
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)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 [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 25250231) is [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is Cn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21.
What is the InChIKey of [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is KFHWYZUAOIYSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3N3O/c1-30-23-10-9-20(29)16-22(23)24(17-5-7-18(27)8-6-17)25(30)26(33)32-13-11-31(12-14-32)21-4-2-3-19(28)15-21/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
[5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 498.84 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(4-chlorophenyl)-1-methylindol-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 25250231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).