2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone

C21H22N4O2S — CID 51896921

IUPAC2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1
InChIInChI=1S/C21H22N4O2S/c26-20(13-25-14-22-17-4-1-2-5-18(17)25)23-7-9-24(10-8-23)21(27)16-12-15(16)19-6-3-11-28-19/h1-6,11,14-16H,7-10,12-13H2/t15-,16+/m1/s1
InChIKeyYYFFKOGTMGTPGE-CVEARBPZSA-N
MW394.50 g/mol
LogP2.57
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 51896921) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID51896921
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1
InChIInChI=1S/C21H22N4O2S/c26-20(13-25-14-22-17-4-1-2-5-18(17)25)23-7-9-24(10-8-23)21(27)16-12-15(16)19-6-3-11-28-19/h1-6,11,14-16H,7-10,12-13H2/t15-,16+/m1/s1
InChIKeyYYFFKOGTMGTPGE-CVEARBPZSA-N
XLogP2.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]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-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 51896921) is 2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is YYFFKOGTMGTPGE-CVEARBPZSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-20(13-25-14-22-17-4-1-2-5-18(17)25)23-7-9-24(10-8-23)21(27)16-12-15(16)19-6-3-11-28-19/h1-6,11,14-16H,7-10,12-13H2/t15-,16+/m1/s1.
What are the key properties of 2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 394.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 51896921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).