4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one

C21H25N3O2 — CID 54252384

IUPAC4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(OCCN3CCC(Cc4ccccc4)CC3)c2[nH]1
InChIInChI=1S/C21H25N3O2/c25-21-22-18-7-4-8-19(20(18)23-21)26-14-13-24-11-9-17(10-12-24)15-16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H2,22,23,25)
InChIKeyQXRCRBIHSHAVLA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.19
Rot. Bonds6

About 4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one

4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one (PubChem CID 54252384) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one
PubChem CID54252384
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(OCCN3CCC(Cc4ccccc4)CC3)c2[nH]1
InChIInChI=1S/C21H25N3O2/c25-21-22-18-7-4-8-19(20(18)23-21)26-14-13-24-11-9-17(10-12-24)15-16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H2,22,23,25)
InChIKeyQXRCRBIHSHAVLA-UHFFFAOYSA-N
XLogP3.19
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 3060986
5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one
CID 21465210
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one
CID 10427916
1-[4-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methoxyphenyl]ethanone;oxalic acid
CID 2977850
[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
CID 15952046
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
N-benzyl-2,2,2-trifluoro-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl]acetamide
CID 15462244

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one (CID 54252384) is 4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cccc(OCCN3CCC(Cc4ccccc4)CC3)c2[nH]1.
What is the InChIKey of 4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QXRCRBIHSHAVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21-22-18-7-4-8-19(20(18)23-21)26-14-13-24-11-9-17(10-12-24)15-16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H2,22,23,25).
What are the key properties of 4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one?
4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 54252384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).