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

C29H28FN5O3 — CID 130357694

IUPAC3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one
SMILESCC(=O)N1CCN(C(=O)c2cc(F)cc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)CC1
InChIInChI=1S/C29H28FN5O3/c1-20(36)33-12-14-34(15-13-33)26(37)22-16-21(17-25(30)18-22)19-35-27(38)29(32-28(35)31,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,16-18H,12-15,19H2,1H3,(H2,31,32)
InChIKeyQLPOTNLATNLKCB-UHFFFAOYSA-N
MW513.57 g/mol
LogP2.73
Rot. Bonds5

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

3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one (PubChem CID 130357694) has the molecular formula C29H28FN5O3 and a molecular weight of 513.57 g/mol. Its IUPAC name is 3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one
PubChem CID130357694
Molecular FormulaC29H28FN5O3
Molecular Weight513.57 g/mol
Exact Mass513.22
IUPAC Name3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one
SMILESCC(=O)N1CCN(C(=O)c2cc(F)cc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)CC1
InChIInChI=1S/C29H28FN5O3/c1-20(36)33-12-14-34(15-13-33)26(37)22-16-21(17-25(30)18-22)19-35-27(38)29(32-28(35)31,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,16-18H,12-15,19H2,1H3,(H2,31,32)
InChIKeyQLPOTNLATNLKCB-UHFFFAOYSA-N
XLogP2.73
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.57
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-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)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one?
The IUPAC name of 3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one (CID 130357694) is 3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one?
The canonical SMILES for 3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one is CC(=O)N1CCN(C(=O)c2cc(F)cc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)CC1.
What is the InChIKey of 3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one?
The InChIKey is QLPOTNLATNLKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O3/c1-20(36)33-12-14-34(15-13-33)26(37)22-16-21(17-25(30)18-22)19-35-27(38)29(32-28(35)31,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,16-18H,12-15,19H2,1H3,(H2,31,32).
What are the key properties of 3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one?
3-[[3-(4-acetylpiperazine-1-carbonyl)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one has a molecular weight of 513.57 g/mol, XLogP of 2.73, 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)-5-fluorophenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 130357694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).