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

C20H21N3O3S — CID 16830040

IUPAC1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14(24)15-6-8-17(9-7-15)27(25,26)23-12-10-16(11-13-23)20-21-18-4-2-3-5-19(18)22-20/h2-9,16H,10-13H2,1H3,(H,21,22)
InChIKeyHBANLQXMKBWTAT-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.33
Rot. Bonds4

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

1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 16830040) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID16830040
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14(24)15-6-8-17(9-7-15)27(25,26)23-12-10-16(11-13-23)20-21-18-4-2-3-5-19(18)22-20/h2-9,16H,10-13H2,1H3,(H,21,22)
InChIKeyHBANLQXMKBWTAT-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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone (CID 16830040) is 1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is HBANLQXMKBWTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(24)15-6-8-17(9-7-15)27(25,26)23-12-10-16(11-13-23)20-21-18-4-2-3-5-19(18)22-20/h2-9,16H,10-13H2,1H3,(H,21,22).
What are the key properties of 1-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[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-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 16830040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).