6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole

C24H24N4O3S — CID 3239351

IUPAC6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1
InChIInChI=1S/C24H24N4O3S/c1-31-20-9-5-8-19(16-20)27-12-14-28(15-13-27)32(29,30)21-10-11-22-23(17-21)26-24(25-22)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,25,26)
InChIKeyNTRWFDHDGGZCLV-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.75
Rot. Bonds5

About 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole

6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole (PubChem CID 3239351) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole
PubChem CID3239351
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1
InChIInChI=1S/C24H24N4O3S/c1-31-20-9-5-8-19(16-20)27-12-14-28(15-13-27)32(29,30)21-10-11-22-23(17-21)26-24(25-22)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,25,26)
InChIKeyNTRWFDHDGGZCLV-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-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole?
The IUPAC name of 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole (CID 3239351) is 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole?
The canonical SMILES for 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole is COc1cccc(N2CCN(S(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1.
What is the InChIKey of 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole?
The InChIKey is NTRWFDHDGGZCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-31-20-9-5-8-19(16-20)27-12-14-28(15-13-27)32(29,30)21-10-11-22-23(17-21)26-24(25-22)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,25,26).
What are the key properties of 6-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole?
6-[4-(3-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-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 3239351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).