5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

C24H33N3O — CID 131635609

IUPAC5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
SMILESO=C1NC2CCC(C3CCN(Cc4cccc(C5=CCCC5)c4)CC3)CC2N1
InChIInChI=1S/C24H33N3O/c28-24-25-22-9-8-21(15-23(22)26-24)19-10-12-27(13-11-19)16-17-4-3-7-20(14-17)18-5-1-2-6-18/h3-5,7,14,19,21-23H,1-2,6,8-13,15-16H2,(H2,25,26,28)
InChIKeyDUSQQTLHDFBVAR-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.32
Rot. Bonds4

About 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one (PubChem CID 131635609) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
PubChem CID131635609
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
SMILESO=C1NC2CCC(C3CCN(Cc4cccc(C5=CCCC5)c4)CC3)CC2N1
InChIInChI=1S/C24H33N3O/c28-24-25-22-9-8-21(15-23(22)26-24)19-10-12-27(13-11-19)16-17-4-3-7-20(14-17)18-5-1-2-6-18/h3-5,7,14,19,21-23H,1-2,6,8-13,15-16H2,(H2,25,26,28)
InChIKeyDUSQQTLHDFBVAR-UHFFFAOYSA-N
XLogP4.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one with MolForge

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Related Compounds

4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
5-(1-((4'-Fluorobiphenyl-4-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one (5b)
CID 131635606
1-Benzyl-1-methyl-4-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-piperidinium
CID 16125470
3-(1-(3-Methylbenzyl)-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16125683
5-(1-(biphenyl-4-ylmethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one (5a)
CID 131635605
5-(4-(biphenyl-4-ylmethyl)piperazin-1-yl)-1H-benzo[d]imidazol-2(3H)-one (6a)
CID 131635611
5-(4-(3-cyclopentenylbenzyl)piperazin-1-yl)-1H-benzo[d]imidazol-2(3H)-one (6e)
CID 131635615
(3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-3-ethyl-octahydro-benzoimidazol-2-one
CID 9902583
(3aR,7aR)-1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-octahydro-benzoimidazol-2-one
CID 10202108
1,1-Dimethyl-4-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-piperidinium
CID 16125257
3-(1-Benzyl-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16125373
3-(1-Methyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125443

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one (CID 131635609) is 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one is O=C1NC2CCC(C3CCN(Cc4cccc(C5=CCCC5)c4)CC3)CC2N1.
What is the InChIKey of 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The InChIKey is DUSQQTLHDFBVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c28-24-25-22-9-8-21(15-23(22)26-24)19-10-12-27(13-11-19)16-17-4-3-7-20(14-17)18-5-1-2-6-18/h3-5,7,14,19,21-23H,1-2,6,8-13,15-16H2,(H2,25,26,28).
What are the key properties of 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one has a molecular weight of 379.55 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[3-(cyclopenten-1-yl)phenyl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one is sourced from PubChem (CID 131635609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).