4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one

C27H28N4O6S — CID 10280297

IUPAC4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(OCC(O)CNC3CCN(S(=O)(=O)c4ccc5oc6ccccc6c5c4)CC3)c2[nH]1
InChIInChI=1S/C27H28N4O6S/c32-18(16-36-25-7-3-5-22-26(25)30-27(33)29-22)15-28-17-10-12-31(13-11-17)38(34,35)19-8-9-24-21(14-19)20-4-1-2-6-23(20)37-24/h1-9,14,17-18,28,32H,10-13,15-16H2,(H2,29,30,33)
InChIKeyZIYSERSXJPYOHH-UHFFFAOYSA-N
MW536.61 g/mol
LogP2.94
Rot. Bonds8

About 4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one

4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one (PubChem CID 10280297) has the molecular formula C27H28N4O6S and a molecular weight of 536.61 g/mol. Its IUPAC name is 4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
PubChem CID10280297
Molecular FormulaC27H28N4O6S
Molecular Weight536.61 g/mol
Exact Mass536.17
IUPAC Name4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(OCC(O)CNC3CCN(S(=O)(=O)c4ccc5oc6ccccc6c5c4)CC3)c2[nH]1
InChIInChI=1S/C27H28N4O6S/c32-18(16-36-25-7-3-5-22-26(25)30-27(33)29-22)15-28-17-10-12-31(13-11-17)38(34,35)19-8-9-24-21(14-19)20-4-1-2-6-23(20)37-24/h1-9,14,17-18,28,32H,10-13,15-16H2,(H2,29,30,33)
InChIKeyZIYSERSXJPYOHH-UHFFFAOYSA-N
XLogP2.94
TPSA140.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2R)-3-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
CID 70001707
4-[2-hydroxy-3-[[1-(3-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]-1,3-dihydrobenzimidazol-2-one
CID 59882992
4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
CID 70007918
1-[4-[4-[[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]-3-phenylurea
CID 10210674
(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propan-2-ol
CID 10230721
(5Z)-5-[[4-[4-[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87937666
ethyl 6-[4-[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 20760338
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol
CID 7440472
(5Z)-5-[[3-fluoro-4-[4-[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87937660
6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 119987604
5-[[4-[4-[[(2R)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]methylidene]-2-methylimino-1,3-thiazolidin-4-one
CID 173228022
(5Z)-2-(1-benzylpiperidin-4-yl)imino-5-[[4-[4-[[2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135427659

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one (CID 10280297) is 4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cccc(OCC(O)CNC3CCN(S(=O)(=O)c4ccc5oc6ccccc6c5c4)CC3)c2[nH]1.
What is the InChIKey of 4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZIYSERSXJPYOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6S/c32-18(16-36-25-7-3-5-22-26(25)30-27(33)29-22)15-28-17-10-12-31(13-11-17)38(34,35)19-8-9-24-21(14-19)20-4-1-2-6-23(20)37-24/h1-9,14,17-18,28,32H,10-13,15-16H2,(H2,29,30,33).
What are the key properties of 4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one?
4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 536.61 g/mol, XLogP of 2.94, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 10280297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).