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

C23H26N4O4S — CID 654402

IUPAC[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)N1CCOCC1
InChIInChI=1S/C23H26N4O4S/c28-23(26-13-15-31-16-14-26)18-5-7-19(8-6-18)32(29,30)27-11-9-17(10-12-27)22-24-20-3-1-2-4-21(20)25-22/h1-8,17H,9-16H2,(H,24,25)
InChIKeyCIQLZDSLHUSYJV-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.60
Rot. Bonds4

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

[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone (PubChem CID 654402) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is [4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
PubChem CID654402
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)N1CCOCC1
InChIInChI=1S/C23H26N4O4S/c28-23(26-13-15-31-16-14-26)18-5-7-19(8-6-18)32(29,30)27-11-9-17(10-12-27)22-24-20-3-1-2-4-21(20)25-22/h1-8,17H,9-16H2,(H,24,25)
InChIKeyCIQLZDSLHUSYJV-UHFFFAOYSA-N
XLogP2.60
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190740
2-ethyl-N-[[1-[2-hydroxy-3-(4-methylsulfonylpiperazin-1-yl)propyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 71714540
N-[[1-[2-hydroxy-3-(4-methylsulfonylpiperazin-1-yl)propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 71714541
2-[(4-acetylphenyl)sulfonylamino]-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 16348163
N-(1H-benzimidazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2311715
N-((1H-Benzo[d]imidazol-2-yl)methyl)-3-(morpholinosulfonyl)benzamide
CID 2351902
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 68276611
PI3K/mTOR Inhibitor-7
CID 153532121
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(1-piperidinylsulfonyl)benzamide
CID 1355735
3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(1H-benzimidazol-2-yl)benzamide
CID 2116482
N-(1H-benzimidazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2126544
N-(1H-benzimidazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2311717

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone (CID 654402) is [4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone is O=C(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)N1CCOCC1.
What is the InChIKey of [4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone?
The InChIKey is CIQLZDSLHUSYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c28-23(26-13-15-31-16-14-26)18-5-7-19(8-6-18)32(29,30)27-11-9-17(10-12-27)22-24-20-3-1-2-4-21(20)25-22/h1-8,17H,9-16H2,(H,24,25).
What are the key properties of [4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone?
[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone has a molecular weight of 454.55 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 654402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).