5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one

C22H24ClN3O2 — CID 21465210

IUPAC5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)c1cc2[nH]c(=O)[nH]c2cc1Cl
InChIInChI=1S/C22H24ClN3O2/c23-18-14-20-19(24-22(28)25-20)13-17(18)21(27)8-11-26-9-6-16(7-10-26)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H2,24,25,28)
InChIKeyAURXSXSHOJNGAT-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.04
Rot. Bonds6

About 5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one

5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one (PubChem CID 21465210) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one
PubChem CID21465210
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)c1cc2[nH]c(=O)[nH]c2cc1Cl
InChIInChI=1S/C22H24ClN3O2/c23-18-14-20-19(24-22(28)25-20)13-17(18)21(27)8-11-26-9-6-16(7-10-26)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H2,24,25,28)
InChIKeyAURXSXSHOJNGAT-UHFFFAOYSA-N
XLogP4.04
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one
CID 54252384
7-chloro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;4-[(4-fluorophenyl)methyl]piperidine
CID 21465162
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
1-[3-(2,5-dichlorophenyl)-3-oxopropyl]piperidine-4-carboxylic acid
CID 82073050
5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 14678964
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541158

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one (CID 21465210) is 5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one is O=C(CCN1CCC(Cc2ccccc2)CC1)c1cc2[nH]c(=O)[nH]c2cc1Cl.
What is the InChIKey of 5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AURXSXSHOJNGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-18-14-20-19(24-22(28)25-20)13-17(18)21(27)8-11-26-9-6-16(7-10-26)12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H2,24,25,28).
What are the key properties of 5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one?
5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one has a molecular weight of 397.91 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-benzylpiperidin-1-yl)propanoyl]-6-chloro-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 21465210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).