3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one

C21H24N4O2 — CID 19032416

IUPAC3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCOc1ccc(N2CCN(c3ccc(-n4c(C)c[nH]c4=O)cc3)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-16-15-22-21(26)25(16)19-5-3-17(4-6-19)23-11-13-24(14-12-23)18-7-9-20(27-2)10-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,26)
InChIKeyZDXQCVRJYGGLKW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.81
Rot. Bonds4

About 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one

3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one (PubChem CID 19032416) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one
PubChem CID19032416
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCOc1ccc(N2CCN(c3ccc(-n4c(C)c[nH]c4=O)cc3)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-16-15-22-21(26)25(16)19-5-3-17(4-6-19)23-11-13-24(14-12-23)18-7-9-20(27-2)10-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,26)
InChIKeyZDXQCVRJYGGLKW-UHFFFAOYSA-N
XLogP2.81
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3-methyl-1H-1,2,4-triazole-5-thione
CID 12877026
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 110856456
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
1-(4-methoxyphenyl)piperidine
CID 10130315
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211150
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136890092
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one (CID 19032416) is 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one is COc1ccc(N2CCN(c3ccc(-n4c(C)c[nH]c4=O)cc3)CC2)cc1.
What is the InChIKey of 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The InChIKey is ZDXQCVRJYGGLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-15-22-21(26)25(16)19-5-3-17(4-6-19)23-11-13-24(14-12-23)18-7-9-20(27-2)10-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,26).
What are the key properties of 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one?
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 19032416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).