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

C22H31N5O — CID 131635616

IUPAC5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
SMILESO=C1NC2CCC(N3CCN(Cc4cncc(C5=CCCC5)c4)CC3)CC2N1
InChIInChI=1S/C22H31N5O/c28-22-24-20-6-5-19(12-21(20)25-22)27-9-7-26(8-10-27)15-16-11-18(14-23-13-16)17-3-1-2-4-17/h3,11,13-14,19-21H,1-2,4-10,12,15H2,(H2,24,25,28)
InChIKeyJKFMPCFRZYWLGG-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.37
Rot. Bonds4

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

5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one (PubChem CID 131635616) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
PubChem CID131635616
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
SMILESO=C1NC2CCC(N3CCN(Cc4cncc(C5=CCCC5)c4)CC3)CC2N1
InChIInChI=1S/C22H31N5O/c28-22-24-20-6-5-19(12-21(20)25-22)27-9-7-26(8-10-27)15-16-11-18(14-23-13-16)17-3-1-2-4-17/h3,11,13-14,19-21H,1-2,4-10,12,15H2,(H2,24,25,28)
InChIKeyJKFMPCFRZYWLGG-UHFFFAOYSA-N
XLogP2.37
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-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

CID 131635608
CID 131635608
CID 131635614
CID 131635614
CID 10476736
CID 10476736
CID 49864796
CID 49864796
CID 49864864
CID 49864864
CID 122362961
CID 122362961
CID 122362962
CID 122362962
CID 131635607
CID 131635607
CID 131635610
CID 131635610
CID 131635613
CID 131635613
CID 2893964
CID 2893964
CID 3237480
CID 3237480

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The IUPAC name of 5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one (CID 131635616) is 5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one is O=C1NC2CCC(N3CCN(Cc4cncc(C5=CCCC5)c4)CC3)CC2N1.
What is the InChIKey of 5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The InChIKey is JKFMPCFRZYWLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c28-22-24-20-6-5-19(12-21(20)25-22)27-9-7-26(8-10-27)15-16-11-18(14-23-13-16)17-3-1-2-4-17/h3,11,13-14,19-21H,1-2,4-10,12,15H2,(H2,24,25,28).
What are the key properties of 5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one has a molecular weight of 381.52 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperazin-1-yl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one is sourced from PubChem (CID 131635616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).