2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one

C23H26N4O2 — CID 91891041

IUPAC2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one
SMILESCC1(C)N=C(c2ccccc2)C(=O)N1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c1-23(2)24-21(18-9-5-3-6-10-18)22(29)27(23)17-20(28)26-15-13-25(14-16-26)19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3
InChIKeyYCVHCBHGZNGYLQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.40
Rot. Bonds4

About 2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one

2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one (PubChem CID 91891041) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one
PubChem CID91891041
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one
SMILESCC1(C)N=C(c2ccccc2)C(=O)N1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c1-23(2)24-21(18-9-5-3-6-10-18)22(29)27(23)17-20(28)26-15-13-25(14-16-26)19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3
InChIKeyYCVHCBHGZNGYLQ-UHFFFAOYSA-N
XLogP2.40
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one?
The IUPAC name of 2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one (CID 91891041) is 2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one.
What is the SMILES notation for 2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one?
The canonical SMILES for 2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one is CC1(C)N=C(c2ccccc2)C(=O)N1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one?
The InChIKey is YCVHCBHGZNGYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-23(2)24-21(18-9-5-3-6-10-18)22(29)27(23)17-20(28)26-15-13-25(14-16-26)19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one?
2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one has a molecular weight of 390.49 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-phenylimidazol-4-one is sourced from PubChem (CID 91891041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).