3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one

C25H24BrCl2N5O4S — CID 18337952

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
SMILESCC(=O)N1CCN(S(=O)(=O)c2cnc3n2C(C)(Cc2ccc(Br)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C25H24BrCl2N5O4S/c1-16(34)30-7-9-31(10-8-30)38(36,37)22-15-29-24-32(21-12-19(27)11-20(28)13-21)23(35)25(2,33(22)24)14-17-3-5-18(26)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3
InChIKeyYRWSGFPSJSNNHJ-UHFFFAOYSA-N
MW641.38 g/mol
LogP4.44
Rot. Bonds5

About 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one

3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one (PubChem CID 18337952) has the molecular formula C25H24BrCl2N5O4S and a molecular weight of 641.38 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
PubChem CID18337952
Molecular FormulaC25H24BrCl2N5O4S
Molecular Weight641.38 g/mol
Exact Mass639.01
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
SMILESCC(=O)N1CCN(S(=O)(=O)c2cnc3n2C(C)(Cc2ccc(Br)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C25H24BrCl2N5O4S/c1-16(34)30-7-9-31(10-8-30)38(36,37)22-15-29-24-32(21-12-19(27)11-20(28)13-21)23(35)25(2,33(22)24)14-17-3-5-18(26)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3
InChIKeyYRWSGFPSJSNNHJ-UHFFFAOYSA-N
XLogP4.44
TPSA95.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-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

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(4-propanoylpiperazin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one
CID 59923670
methyl 3-[4-[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-3-oxopropanoate
CID 18338101
4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-tert-butylpiperazine-1-carboxamide
CID 59923586
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperidin-1-ylsulfonylimidazo[1,2-a]imidazol-6-one
CID 11433367
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-5-methylimidazo[1,2-a]imidazol-6-one
CID 18337987
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-(4-hydroxypiperidin-1-yl)sulfonyl-5-methylimidazo[1,2-a]imidazol-6-one
CID 11410955
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]sulfonylimidazo[1,2-a]imidazol-6-one
CID 18338036
4-[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazine-1-carbaldehyde
CID 18337912
[1-[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidin-4-yl] acetate
CID 18337802
4-[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-cyclohexylpiperazine-1-carboxamide
CID 18337906
3-(4-acetylpiperazin-1-yl)sulfonyl-7-(3,5-dichlorophenyl)-5-[[4-(5-fluoro-3-pyridinyl)phenyl]methyl]-5-methylimidazo[1,2-a]imidazol-6-one
CID 18337959
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-(4-methoxypiperidin-1-yl)sulfonyl-5-methylimidazo[1,2-a]imidazol-6-one
CID 59923759

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one (CID 18337952) is 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one is CC(=O)N1CCN(S(=O)(=O)c2cnc3n2C(C)(Cc2ccc(Br)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
The InChIKey is YRWSGFPSJSNNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrCl2N5O4S/c1-16(34)30-7-9-31(10-8-30)38(36,37)22-15-29-24-32(21-12-19(27)11-20(28)13-21)23(35)25(2,33(22)24)14-17-3-5-18(26)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3.
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one has a molecular weight of 641.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 18337952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).