3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one

C15H20N4O — CID 117433949

IUPAC3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccccc1CCN1CCNCC1
InChIInChI=1S/C15H20N4O/c20-15-17-8-12-19(15)14-4-2-1-3-13(14)5-9-18-10-6-16-7-11-18/h1-4,8,12,16H,5-7,9-11H2,(H,17,20)
InChIKeyYMKKOCIUKORRMH-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.61
Rot. Bonds4

About 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one

3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one (PubChem CID 117433949) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one
PubChem CID117433949
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccccc1CCN1CCNCC1
InChIInChI=1S/C15H20N4O/c20-15-17-8-12-19(15)14-4-2-1-3-13(14)5-9-18-10-6-16-7-11-18/h1-4,8,12,16H,5-7,9-11H2,(H,17,20)
InChIKeyYMKKOCIUKORRMH-UHFFFAOYSA-N
XLogP0.61
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-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

3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one
CID 84662478
1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione
CID 117487248
3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one
CID 103124791
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol
CID 117379674
8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117402589
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine
CID 117475097
N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
CID 117408812

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one (CID 117433949) is 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccccc1CCN1CCNCC1.
What is the InChIKey of 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is YMKKOCIUKORRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-15-17-8-12-19(15)14-4-2-1-3-13(14)5-9-18-10-6-16-7-11-18/h1-4,8,12,16H,5-7,9-11H2,(H,17,20).
What are the key properties of 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one?
3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 272.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 117433949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).