3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one

C29H27F2N5O3 — CID 135155585

IUPAC3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one
SMILESCC(=O)N1CCN(C(=O)c2cccc(CN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3N)c2)CC1
InChIInChI=1S/C29H27F2N5O3/c1-19(37)34-13-15-35(16-14-34)26(38)21-4-2-3-20(17-21)18-36-27(39)29(33-28(36)32,22-5-9-24(30)10-6-22)23-7-11-25(31)12-8-23/h2-12,17H,13-16,18H2,1H3,(H2,32,33)
InChIKeyYEESFMBHZADJBK-UHFFFAOYSA-N
MW531.56 g/mol
LogP2.87
Rot. Bonds5

About 3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one

3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one (PubChem CID 135155585) has the molecular formula C29H27F2N5O3 and a molecular weight of 531.56 g/mol. Its IUPAC name is 3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one.

Molecular Properties

Compound Name3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one
PubChem CID135155585
Molecular FormulaC29H27F2N5O3
Molecular Weight531.56 g/mol
Exact Mass531.21
IUPAC Name3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one
SMILESCC(=O)N1CCN(C(=O)c2cccc(CN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3N)c2)CC1
InChIInChI=1S/C29H27F2N5O3/c1-19(37)34-13-15-35(16-14-34)26(38)21-4-2-3-20(17-21)18-36-27(39)29(33-28(36)32,22-5-9-24(30)10-6-22)23-7-11-25(31)12-8-23/h2-12,17H,13-16,18H2,1H3,(H2,32,33)
InChIKeyYEESFMBHZADJBK-UHFFFAOYSA-N
XLogP2.87
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-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-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one?
The IUPAC name of 3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one (CID 135155585) is 3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one.
What is the SMILES notation for 3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one?
The canonical SMILES for 3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one is CC(=O)N1CCN(C(=O)c2cccc(CN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3N)c2)CC1.
What is the InChIKey of 3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one?
The InChIKey is YEESFMBHZADJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N5O3/c1-19(37)34-13-15-35(16-14-34)26(38)21-4-2-3-20(17-21)18-36-27(39)29(33-28(36)32,22-5-9-24(30)10-6-22)23-7-11-25(31)12-8-23/h2-12,17H,13-16,18H2,1H3,(H2,32,33).
What are the key properties of 3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one?
3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one has a molecular weight of 531.56 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-bis(4-fluorophenyl)imidazol-4-one is sourced from PubChem (CID 135155585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).