1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone

C20H21N3O3S — CID 24685771

IUPAC1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C20H21N3O3S/c1-14(24)16-5-4-6-17(13-16)27(25,26)23-11-9-15(10-12-23)20-21-18-7-2-3-8-19(18)22-20/h2-8,13,15H,9-12H2,1H3,(H,21,22)
InChIKeyVVPDCYFMTLUEFR-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.33
Rot. Bonds4

About 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone

1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 24685771) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID24685771
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C20H21N3O3S/c1-14(24)16-5-4-6-17(13-16)27(25,26)23-11-9-15(10-12-23)20-21-18-7-2-3-8-19(18)22-20/h2-8,13,15H,9-12H2,1H3,(H,21,22)
InChIKeyVVPDCYFMTLUEFR-UHFFFAOYSA-N
XLogP3.33
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]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 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone (CID 24685771) is 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is VVPDCYFMTLUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(24)16-5-4-6-17(13-16)27(25,26)23-11-9-15(10-12-23)20-21-18-7-2-3-8-19(18)22-20/h2-8,13,15H,9-12H2,1H3,(H,21,22).
What are the key properties of 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 383.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 24685771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).