3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one

C23H30N4O — CID 42618265

IUPAC3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O/c28-23-24-21-12-6-7-13-22(21)27(23)15-9-2-1-8-14-25-16-18-26(19-17-25)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2,(H,24,28)
InChIKeyOAJXMROTIQATDQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.71
Rot. Bonds8

About 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one

3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one (PubChem CID 42618265) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one
PubChem CID42618265
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O/c28-23-24-21-12-6-7-13-22(21)27(23)15-9-2-1-8-14-25-16-18-26(19-17-25)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2,(H,24,28)
InChIKeyOAJXMROTIQATDQ-UHFFFAOYSA-N
XLogP3.71
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Domperidone
CID 3151
Oxatomide
CID 4615
Flibanserin
CID 6918248
1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
1-Ebio
CID 82320
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
2-Imidazolidinone, 1,3-diphenyl-
CID 975958
1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
CID 10066285
Bimu 1
CID 9929033

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one (CID 42618265) is 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one?
The InChIKey is OAJXMROTIQATDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c28-23-24-21-12-6-7-13-22(21)27(23)15-9-2-1-8-14-25-16-18-26(19-17-25)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2,(H,24,28).
What are the key properties of 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one?
3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one has a molecular weight of 378.52 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 42618265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).