2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

C24H23N3O2S — CID 44565638

IUPAC2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H23N3O2S/c28-30(29,21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-16-14-20(15-17-27)24-25-22-8-4-5-9-23(22)26-24/h1-13,20H,14-17H2,(H,25,26)
InChIKeyZYMNWOUZKYNDFT-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.80
Rot. Bonds4

About 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 44565638) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
PubChem CID44565638
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H23N3O2S/c28-30(29,21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-16-14-20(15-17-27)24-25-22-8-4-5-9-23(22)26-24/h1-13,20H,14-17H2,(H,25,26)
InChIKeyZYMNWOUZKYNDFT-UHFFFAOYSA-N
XLogP4.80
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 33919
CID 33919
CID 11677589
CID 11677589
CID 1088438
CID 1088438
CID 16109435
CID 16109435
CID 685518
CID 685518
CID 755364
CID 755364
CID 11846625
CID 11846625
CID 24825344
CID 24825344
CID 24825345
CID 24825345
CID 123132899
CID 123132899
CID 446805
CID 446805
CID 9822219
CID 9822219

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (CID 44565638) is 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The InChIKey is ZYMNWOUZKYNDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c28-30(29,21-12-10-19(11-13-21)18-6-2-1-3-7-18)27-16-14-20(15-17-27)24-25-22-8-4-5-9-23(22)26-24/h1-13,20H,14-17H2,(H,25,26).
What are the key properties of 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole has a molecular weight of 417.53 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 44565638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).