4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide

C51H50Br2Cl4N10O7S2 — CID 142041662

IUPAC4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide
SMILESCCNS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)c(C2CCC(NC(=O)N3CCN(S(=O)(=O)c4cnc5n4[C@](C)(Cc4ccc(Br)cc4)C(=O)N5c4cc(Cl)cc(Cl)c4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C51H50Br2Cl4N10O7S2/c1-4-60-75(71,72)42-28-58-47-65(45(68)50(2,66(42)47)26-30-5-11-33(52)12-6-30)39-24-40(56)44(41(57)25-39)32-9-15-37(16-10-32)61-49(70)62-17-19-63(20-18-62)76(73,74)43-29-59-48-64(38-22-35(54)21-36(55)23-38)46(69)51(3,67(43)48)27-31-7-13-34(53)14-8-31/h5-8,11-14,21-25,28-29,32,37,60H,4,9-10,15-20,26-27H2,1-3H3,(H,61,70)/t32?,37?,50-,51-/m1/s1
InChIKeyUPRQAKIGGMSEEF-CACFLCFMSA-N
MW1280.78 g/mol
LogP10.53
Rot. Bonds13

About 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide

4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide (PubChem CID 142041662) has the molecular formula C51H50Br2Cl4N10O7S2 and a molecular weight of 1280.78 g/mol. Its IUPAC name is 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide
PubChem CID142041662
Molecular FormulaC51H50Br2Cl4N10O7S2
Molecular Weight1280.78 g/mol
Exact Mass1276.04
IUPAC Name4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide
SMILESCCNS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)c(C2CCC(NC(=O)N3CCN(S(=O)(=O)c4cnc5n4[C@](C)(Cc4ccc(Br)cc4)C(=O)N5c4cc(Cl)cc(Cl)c4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C51H50Br2Cl4N10O7S2/c1-4-60-75(71,72)42-28-58-47-65(45(68)50(2,66(42)47)26-30-5-11-33(52)12-6-30)39-24-40(56)44(41(57)25-39)32-9-15-37(16-10-32)61-49(70)62-17-19-63(20-18-62)76(73,74)43-29-59-48-64(38-22-35(54)21-36(55)23-38)46(69)51(3,67(43)48)27-31-7-13-34(53)14-8-31/h5-8,11-14,21-25,28-29,32,37,60H,4,9-10,15-20,26-27H2,1-3H3,(H,61,70)/t32?,37?,50-,51-/m1/s1
InChIKeyUPRQAKIGGMSEEF-CACFLCFMSA-N
XLogP10.53
TPSA192.15 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.78
LogP ≤ 510.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide with MolForge

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Related Compounds

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-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
CID 18337952
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
(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
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-(4-hydroxypiperidin-1-yl)sulfonyl-5-methylimidazo[1,2-a]imidazol-6-one
CID 11410955
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-[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazine-1-carbaldehyde
CID 18337912
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperidin-1-ylsulfonylimidazo[1,2-a]imidazol-6-one
CID 11433367
[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
(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
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)-5-methyl-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]sulfonylimidazo[1,2-a]imidazol-6-one
CID 18338036

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide (CID 142041662) is 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide is CCNS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)c(C2CCC(NC(=O)N3CCN(S(=O)(=O)c4cnc5n4[C@](C)(Cc4ccc(Br)cc4)C(=O)N5c4cc(Cl)cc(Cl)c4)CC3)CC2)c(Cl)c1.
What is the InChIKey of 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide?
The InChIKey is UPRQAKIGGMSEEF-CACFLCFMSA-N. The full InChI is InChI=1S/C51H50Br2Cl4N10O7S2/c1-4-60-75(71,72)42-28-58-47-65(45(68)50(2,66(42)47)26-30-5-11-33(52)12-6-30)39-24-40(56)44(41(57)25-39)32-9-15-37(16-10-32)61-49(70)62-17-19-63(20-18-62)76(73,74)43-29-59-48-64(38-22-35(54)21-36(55)23-38)46(69)51(3,67(43)48)27-31-7-13-34(53)14-8-31/h5-8,11-14,21-25,28-29,32,37,60H,4,9-10,15-20,26-27H2,1-3H3,(H,61,70)/t32?,37?,50-,51-/m1/s1.
What are the key properties of 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide?
4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide has a molecular weight of 1280.78 g/mol, XLogP of 10.53, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonyl-N-[4-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(ethylsulfamoyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-7-yl]-2,6-dichlorophenyl]cyclohexyl]piperazine-1-carboxamide is sourced from PubChem (CID 142041662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).