4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one

C24H32N4O5S — CID 70007918

IUPAC4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCC(CNC[C@@H](O)COc3cccc4[nH]c(=O)[nH]c34)CC2)cc1
InChIInChI=1S/C24H32N4O5S/c1-2-17-6-8-20(9-7-17)34(31,32)28-12-10-18(11-13-28)14-25-15-19(29)16-33-22-5-3-4-21-23(22)27-24(30)26-21/h3-9,18-19,25,29H,2,10-16H2,1H3,(H2,26,27,30)/t19-/m1/s1
InChIKeySMUCMUOZYJCMKG-LJQANCHMSA-N
MW488.61 g/mol
LogP1.85
Rot. Bonds10

About 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one

4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one (PubChem CID 70007918) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
PubChem CID70007918
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCC(CNC[C@@H](O)COc3cccc4[nH]c(=O)[nH]c34)CC2)cc1
InChIInChI=1S/C24H32N4O5S/c1-2-17-6-8-20(9-7-17)34(31,32)28-12-10-18(11-13-28)14-25-15-19(29)16-33-22-5-3-4-21-23(22)27-24(30)26-21/h3-9,18-19,25,29H,2,10-16H2,1H3,(H2,26,27,30)/t19-/m1/s1
InChIKeySMUCMUOZYJCMKG-LJQANCHMSA-N
XLogP1.85
TPSA127.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-3-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
CID 70001707
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
4-[2-hydroxy-3-[[1-(3-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]-1,3-dihydrobenzimidazol-2-one
CID 59882992
4-[3-[(1-dibenzofuran-2-ylsulfonylpiperidin-4-yl)amino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
CID 10280297
(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propan-2-ol
CID 10230721
(2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol
CID 10141164
4-[(2S)-2-hydroxy-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]phenol
CID 70001951
N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine
CID 11315184
lithium ethoxy-[[4-[(2R)-2-[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]propyl]phenoxy]methyl]phosphinate
CID 23671011
N-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]nonanamide
CID 10257535
N-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]heptanamide
CID 10302672
4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol
CID 18678599

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one (CID 70007918) is 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one is CCc1ccc(S(=O)(=O)N2CCC(CNC[C@@H](O)COc3cccc4[nH]c(=O)[nH]c34)CC2)cc1.
What is the InChIKey of 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SMUCMUOZYJCMKG-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-2-17-6-8-20(9-7-17)34(31,32)28-12-10-18(11-13-28)14-25-15-19(29)16-33-22-5-3-4-21-23(22)27-24(30)26-21/h3-9,18-19,25,29H,2,10-16H2,1H3,(H2,26,27,30)/t19-/m1/s1.
What are the key properties of 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one?
4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 488.61 g/mol, XLogP of 1.85, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 70007918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).