2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

C20H22N4OS — CID 2810019

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C20H22N4OS/c1-15-7-8-17-18(13-15)22-20(21-17)26-14-19(25)24-11-9-23(10-12-24)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,22)
InChIKeyUKLNGGHIURFLPL-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.31
Rot. Bonds4

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2810019) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2810019
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C20H22N4OS/c1-15-7-8-17-18(13-15)22-20(21-17)26-14-19(25)24-11-9-23(10-12-24)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,22)
InChIKeyUKLNGGHIURFLPL-UHFFFAOYSA-N
XLogP3.31
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 2810019) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is Cc1ccc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is UKLNGGHIURFLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-15-7-8-17-18(13-15)22-20(21-17)26-14-19(25)24-11-9-23(10-12-24)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,22).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 366.49 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2810019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).