4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide

C24H28N4O4S — CID 3689763

IUPAC4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C24H28N4O4S/c29-24(25-16-19-4-3-15-32-19)18-7-9-20(10-8-18)33(30,31)28-13-11-17(12-14-28)23-26-21-5-1-2-6-22(21)27-23/h1-2,5-10,17,19H,3-4,11-16H2,(H,25,29)(H,26,27)
InChIKeyIDKVNVMCXPYUKH-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.04
Rot. Bonds6

About 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide

4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3689763) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3689763
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C24H28N4O4S/c29-24(25-16-19-4-3-15-32-19)18-7-9-20(10-8-18)33(30,31)28-13-11-17(12-14-28)23-26-21-5-1-2-6-22(21)27-23/h1-2,5-10,17,19H,3-4,11-16H2,(H,25,29)(H,26,27)
InChIKeyIDKVNVMCXPYUKH-UHFFFAOYSA-N
XLogP3.04
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-fluorobenzamide
CID 16802929
(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 94585398
[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 3223538
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 29043662
4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7436349
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carboxamide
CID 18575340
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90505755
2-[[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylanilino]methylidene]propanedinitrile
CID 168543700
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 94093377
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 142409926
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-(2-methylphenoxy)acetamide
CID 29043701

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide (CID 3689763) is 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is IDKVNVMCXPYUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c29-24(25-16-19-4-3-15-32-19)18-7-9-20(10-8-18)33(30,31)28-13-11-17(12-14-28)23-26-21-5-1-2-6-22(21)27-23/h1-2,5-10,17,19H,3-4,11-16H2,(H,25,29)(H,26,27).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 468.58 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 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]sulfonyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3689763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).