2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C20H22N4O2S — CID 2228811

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H22N4O2S/c1-26-18-9-5-4-8-17(18)23-10-12-24(13-11-23)19(25)14-27-20-21-15-6-2-3-7-16(15)22-20/h2-9H,10-14H2,1H3,(H,21,22)
InChIKeyOHGIQBNABQMZLD-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.01
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 2228811) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID2228811
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H22N4O2S/c1-26-18-9-5-4-8-17(18)23-10-12-24(13-11-23)19(25)14-27-20-21-15-6-2-3-7-16(15)22-20/h2-9H,10-14H2,1H3,(H,21,22)
InChIKeyOHGIQBNABQMZLD-UHFFFAOYSA-N
XLogP3.01
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone 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 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 2228811) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is OHGIQBNABQMZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-26-18-9-5-4-8-17(18)23-10-12-24(13-11-23)19(25)14-27-20-21-15-6-2-3-7-16(15)22-20/h2-9H,10-14H2,1H3,(H,21,22).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 382.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2228811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).