1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole

C62H62N4O4S2 — CID 122374420

IUPAC1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole
SMILESCc1ccc(S(=O)(=O)n2c(-c3cccc(-c4nc(-c5c(C)cc(C)cc5C)c(-c5c(C)cc(C)cc5C)n4S(=O)(=O)c4ccc(C)cc4)c3)nc(-c3c(C)cc(C)cc3C)c2-c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C62H62N4O4S2/c1-35-18-22-51(23-19-35)71(67,68)65-59(55-45(11)30-39(5)31-46(55)12)57(53-41(7)26-37(3)27-42(53)8)63-61(65)49-16-15-17-50(34-49)62-64-58(54-43(9)28-38(4)29-44(54)10)60(56-47(13)32-40(6)33-48(56)14)66(62)72(69,70)52-24-20-36(2)21-25-52/h15-34H,1-14H3
InChIKeySKHTUCNDQUSTGV-UHFFFAOYSA-N
MW991.34 g/mol
LogP14.87
Rot. Bonds10

About 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole

1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole (PubChem CID 122374420) has the molecular formula C62H62N4O4S2 and a molecular weight of 991.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole
PubChem CID122374420
Molecular FormulaC62H62N4O4S2
Molecular Weight991.34 g/mol
Exact Mass990.42
IUPAC Name1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole
SMILESCc1ccc(S(=O)(=O)n2c(-c3cccc(-c4nc(-c5c(C)cc(C)cc5C)c(-c5c(C)cc(C)cc5C)n4S(=O)(=O)c4ccc(C)cc4)c3)nc(-c3c(C)cc(C)cc3C)c2-c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C62H62N4O4S2/c1-35-18-22-51(23-19-35)71(67,68)65-59(55-45(11)30-39(5)31-46(55)12)57(53-41(7)26-37(3)27-42(53)8)63-61(65)49-16-15-17-50(34-49)62-64-58(54-43(9)28-38(4)29-44(54)10)60(56-47(13)32-40(6)33-48(56)14)66(62)72(69,70)52-24-20-36(2)21-25-52/h15-34H,1-14H3
InChIKeySKHTUCNDQUSTGV-UHFFFAOYSA-N
XLogP14.87
TPSA103.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.34
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole 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

methyl 5-(4-methylphenyl)sulfonyl-1-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole-3-carboxylate
CID 44631751
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole
CID 177397978
1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole
CID 177459365
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole
CID 162398288
4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 142734107
2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 174939258
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 19588047
3-methyl-1-(4-methylphenyl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole
CID 132547779
1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
CID 5134322

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole (CID 122374420) is 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole is Cc1ccc(S(=O)(=O)n2c(-c3cccc(-c4nc(-c5c(C)cc(C)cc5C)c(-c5c(C)cc(C)cc5C)n4S(=O)(=O)c4ccc(C)cc4)c3)nc(-c3c(C)cc(C)cc3C)c2-c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole?
The InChIKey is SKHTUCNDQUSTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62N4O4S2/c1-35-18-22-51(23-19-35)71(67,68)65-59(55-45(11)30-39(5)31-46(55)12)57(53-41(7)26-37(3)27-42(53)8)63-61(65)49-16-15-17-50(34-49)62-64-58(54-43(9)28-38(4)29-44(54)10)60(56-47(13)32-40(6)33-48(56)14)66(62)72(69,70)52-24-20-36(2)21-25-52/h15-34H,1-14H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole?
1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole has a molecular weight of 991.34 g/mol, XLogP of 14.87, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 122374420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).