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

C23H32N4O — CID 131635615

IUPAC5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
SMILESO=C1NC2CCC(N3CCN(Cc4cccc(C5=CCCC5)c4)CC3)CC2N1
InChIInChI=1S/C23H32N4O/c28-23-24-21-9-8-20(15-22(21)25-23)27-12-10-26(11-13-27)16-17-4-3-7-19(14-17)18-5-1-2-6-18/h3-5,7,14,20-22H,1-2,6,8-13,15-16H2,(H2,24,25,28)
InChIKeyQZDWEHZDXKHGHD-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.97
Rot. Bonds4

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

5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one (PubChem CID 131635615) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
PubChem CID131635615
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
SMILESO=C1NC2CCC(N3CCN(Cc4cccc(C5=CCCC5)c4)CC3)CC2N1
InChIInChI=1S/C23H32N4O/c28-23-24-21-9-8-20(15-22(21)25-23)27-12-10-26(11-13-27)16-17-4-3-7-19(14-17)18-5-1-2-6-18/h3-5,7,14,20-22H,1-2,6,8-13,15-16H2,(H2,24,25,28)
InChIKeyQZDWEHZDXKHGHD-UHFFFAOYSA-N
XLogP2.97
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
5-(4-((4'-fluorobiphenyl-4-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazol-2(3H)-one (6b)
CID 131635612
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-(1-(3-cyclopentenylbenzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one (5e)
CID 131635609
5-(4-(biphenyl-4-ylmethyl)piperazin-1-yl)-1H-benzo[d]imidazol-2(3H)-one (6a)
CID 131635611
(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-Benzyl-piperidin-4-yl)-5,5-dibenzyl-imidazolidine-2,4-dione
CID 16125437

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The IUPAC name of 5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one (CID 131635615) is 5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one is O=C1NC2CCC(N3CCN(Cc4cccc(C5=CCCC5)c4)CC3)CC2N1.
What is the InChIKey of 5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The InChIKey is QZDWEHZDXKHGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c28-23-24-21-9-8-20(15-22(21)25-23)27-12-10-26(11-13-27)16-17-4-3-7-19(14-17)18-5-1-2-6-18/h3-5,7,14,20-22H,1-2,6,8-13,15-16H2,(H2,24,25,28).
What are the key properties of 5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one has a molecular weight of 380.54 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one is sourced from PubChem (CID 131635615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).