3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one

C22H28N4O — CID 25256850

IUPAC3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N4O/c27-22-23-20-11-5-6-12-21(20)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2,(H,23,27)
InChIKeyYQHBPOJXPWDLBO-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.32
Rot. Bonds7

About 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one

3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one (PubChem CID 25256850) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
PubChem CID25256850
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N4O/c27-22-23-20-11-5-6-12-21(20)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2,(H,23,27)
InChIKeyYQHBPOJXPWDLBO-UHFFFAOYSA-N
XLogP3.32
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one (CID 25256850) is 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one?
The InChIKey is YQHBPOJXPWDLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22-23-20-11-5-6-12-21(20)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2,(H,23,27).
What are the key properties of 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one?
3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 25256850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).