5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole)

C127H144Cl2N12O18S6 — CID 159660603

IUPAC5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole)
SMILESCOc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1.COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1.COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C.COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C.COc1ccc(Cl)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1.COc1ccc(Cl)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C
InChIInChI=1S/2C22H26N2O3S.C21H23ClN2O3S.2C21H24N2O3S.C20H21ClN2O3S/c2*1-15-7-12-19(27-6)18(13-15)21-23-14-20(24(21)5)28(25,26)17-10-8-16(9-11-17)22(2,3)4;1-21(2,3)14-6-9-16(10-7-14)28(25,26)19-13-23-20(24(19)4)17-12-15(22)8-11-18(17)27-5;2*1-14-6-11-18(26-5)17(12-14)20-22-13-19(23-20)27(24,25)16-9-7-15(8-10-16)21(2,3)4;1-20(2,3)13-5-8-15(9-6-13)27(24,25)18-12-22-19(23-18)16-11-14(21)7-10-17(16)26-4/h2*7-14H,1-6H3;6-13H,1-5H3;2*6-13H,1-5H3,(H,22,23);5-12H,1-4H3,(H,22,23)
InChIKeyMSTFAHMFGKMNPM-UHFFFAOYSA-N
MW2389.92 g/mol
LogP27.87
Rot. Bonds24

About 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole)

5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole) (PubChem CID 159660603) has the molecular formula C127H144Cl2N12O18S6 and a molecular weight of 2389.92 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole).

Molecular Properties

Compound Name5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole)
PubChem CID159660603
Molecular FormulaC127H144Cl2N12O18S6
Molecular Weight2389.92 g/mol
Exact Mass2386.84
IUPAC Name5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole)
SMILESCOc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1.COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1.COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C.COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C.COc1ccc(Cl)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1.COc1ccc(Cl)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C
InChIInChI=1S/2C22H26N2O3S.C21H23ClN2O3S.2C21H24N2O3S.C20H21ClN2O3S/c2*1-15-7-12-19(27-6)18(13-15)21-23-14-20(24(21)5)28(25,26)17-10-8-16(9-11-17)22(2,3)4;1-21(2,3)14-6-9-16(10-7-14)28(25,26)19-13-23-20(24(19)4)17-12-15(22)8-11-18(17)27-5;2*1-14-6-11-18(26-5)17(12-14)20-22-13-19(23-20)27(24,25)16-9-7-15(8-10-16)21(2,3)4;1-20(2,3)13-5-8-15(9-6-13)27(24,25)18-12-22-19(23-18)16-11-14(21)7-10-17(16)26-4/h2*7-14H,1-6H3;6-13H,1-5H3;2*6-13H,1-5H3,(H,22,23);5-12H,1-4H3,(H,22,23)
InChIKeyMSTFAHMFGKMNPM-UHFFFAOYSA-N
XLogP27.87
TPSA399.72 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002389.92
LogP ≤ 527.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole) with MolForge

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Related Compounds

(4-tert-butylphenyl)-[2-(2-methoxy-5-methylphenyl)-3-methylimidazol-4-yl]methanone
CID 130472029
4-(4-tert-butylphenyl)sulfanyl-2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazole
CID 130472433
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
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2-(5-chloro-2-methoxyphenyl)-5-methylaniline
CID 82767066
2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline
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5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 4640983
N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 16804653
4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride
CID 177414477
5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
CID 116879411
1-(4-tert-butylphenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide
CID 26582304
2-[[5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine
CID 79072753

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole)?
The IUPAC name of 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole) (CID 159660603) is 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole).
What is the SMILES notation for 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole)?
The canonical SMILES for 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole) is COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1.COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1.COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C.COc1ccc(C)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C.COc1ccc(Cl)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]1.COc1ccc(Cl)cc1-c1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C.
What is the InChIKey of 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole)?
The InChIKey is MSTFAHMFGKMNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26N2O3S.C21H23ClN2O3S.2C21H24N2O3S.C20H21ClN2O3S/c2*1-15-7-12-19(27-6)18(13-15)21-23-14-20(24(21)5)28(25,26)17-10-8-16(9-11-17)22(2,3)4;1-21(2,3)14-6-9-16(10-7-14)28(25,26)19-13-23-20(24(19)4)17-12-15(22)8-11-18(17)27-5;2*1-14-6-11-18(26-5)17(12-14)20-22-13-19(23-20)27(24,25)16-9-7-15(8-10-16)21(2,3)4;1-20(2,3)13-5-8-15(9-6-13)27(24,25)18-12-22-19(23-18)16-11-14(21)7-10-17(16)26-4/h2*7-14H,1-6H3;6-13H,1-5H3;2*6-13H,1-5H3,(H,22,23);5-12H,1-4H3,(H,22,23).
What are the key properties of 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole)?
5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole) has a molecular weight of 2389.92 g/mol, XLogP of 27.87, 24 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1H-imidazole;5-(4-tert-butylphenyl)sulfonyl-2-(5-chloro-2-methoxyphenyl)-1-methylimidazole;bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1H-imidazole);bis(5-(4-tert-butylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)-1-methylimidazole) is sourced from PubChem (CID 159660603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).