6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole

C24H24N4O3S — CID 5199936

IUPAC6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)CC1
InChIInChI=1S/C24H24N4O3S/c1-31-23-10-6-5-9-22(23)27-13-15-28(16-14-27)32(29,30)19-11-12-20-21(17-19)26-24(25-20)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,25,26)
InChIKeyYJSPTCFBJMAGEZ-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.75
Rot. Bonds5

About 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole

6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole (PubChem CID 5199936) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole
PubChem CID5199936
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)CC1
InChIInChI=1S/C24H24N4O3S/c1-31-23-10-6-5-9-22(23)27-13-15-28(16-14-27)32(29,30)19-11-12-20-21(17-19)26-24(25-20)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,25,26)
InChIKeyYJSPTCFBJMAGEZ-UHFFFAOYSA-N
XLogP3.75
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole (CID 5199936) is 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole is COc1ccccc1N1CCN(S(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)CC1.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole?
The InChIKey is YJSPTCFBJMAGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-31-23-10-6-5-9-22(23)27-13-15-28(16-14-27)32(29,30)19-11-12-20-21(17-19)26-24(25-20)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,25,26).
What are the key properties of 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole?
6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole has a molecular weight of 448.55 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 5199936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).