2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole

C176H132N20O16S8 — CID 161126950

IUPAC2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(C)nc5c4)ccc3o2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)oc5c4)cc3o2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)cc1.Cc1ccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1cccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(C)nc5c4)ccc3o2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)oc5c4)cc3o2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)c1.Cc1cccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1
InChIInChI=1S/2C22H18N4O2S.2C22H16N2O4S.2C22H16N2O2.2C22H16N2S2/c1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)29(27,28)16-7-9-18-20(11-16)24-14(2)23-18;1-13-4-3-5-15(10-13)22-25-19-9-7-17(12-21(19)26-22)29(27,28)16-6-8-18-20(11-16)24-14(2)23-18;1-13-3-5-15(6-4-13)22-24-19-12-17(8-10-21(19)28-22)29(25,26)16-7-9-20-18(11-16)23-14(2)27-20;1-13-4-3-5-15(10-13)22-24-19-12-17(7-9-21(19)28-22)29(25,26)16-6-8-20-18(11-16)23-14(2)27-20;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)25-14(2)23-18;1-13-4-3-5-17(10-13)22-24-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)25-14(2)23-18;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)25-14(2)23-18;1-13-4-3-5-17(10-13)22-24-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)25-14(2)23-18/h2*3-12H,1-2H3,(H,23,24)(H,25,26);2*3-12H,1-2H3;4*3-12H,1-2H3
InChIKeyULRMFDBVKUJFLJ-UHFFFAOYSA-N
MW3039.65 g/mol
LogP44.84
Rot. Bonds20

About 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole

2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole (PubChem CID 161126950) has the molecular formula C176H132N20O16S8 and a molecular weight of 3039.65 g/mol. Its IUPAC name is 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
PubChem CID161126950
Molecular FormulaC176H132N20O16S8
Molecular Weight3039.65 g/mol
Exact Mass3036.79
IUPAC Name2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(C)nc5c4)ccc3o2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)oc5c4)cc3o2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)cc1.Cc1ccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1cccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(C)nc5c4)ccc3o2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)oc5c4)cc3o2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)c1.Cc1cccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1
InChIInChI=1S/2C22H18N4O2S.2C22H16N2O4S.2C22H16N2O2.2C22H16N2S2/c1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)29(27,28)16-7-9-18-20(11-16)24-14(2)23-18;1-13-4-3-5-15(10-13)22-25-19-9-7-17(12-21(19)26-22)29(27,28)16-6-8-18-20(11-16)24-14(2)23-18;1-13-3-5-15(6-4-13)22-24-19-12-17(8-10-21(19)28-22)29(25,26)16-7-9-20-18(11-16)23-14(2)27-20;1-13-4-3-5-15(10-13)22-24-19-12-17(7-9-21(19)28-22)29(25,26)16-6-8-20-18(11-16)23-14(2)27-20;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)25-14(2)23-18;1-13-4-3-5-17(10-13)22-24-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)25-14(2)23-18;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)25-14(2)23-18;1-13-4-3-5-17(10-13)22-24-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)25-14(2)23-18/h2*3-12H,1-2H3,(H,23,24)(H,25,26);2*3-12H,1-2H3;4*3-12H,1-2H3
InChIKeyULRMFDBVKUJFLJ-UHFFFAOYSA-N
XLogP44.84
TPSA511.08 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003039.65
LogP ≤ 544.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[[2-[(E)-3-[4-[[2-[(3E)-3-(2,5-dihydroxy-3,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)propyl]-1,3-benzothiazol-6-yl]methyl]-2,5-dihydroxy-3,6-dimethylphenyl]prop-2-enyl]-1,3-benzoxazol-6-yl]methyl]-5-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 123381836
2-[[2-[(3E)-3-[(4E)-4-[[2-[(E)-3-(2,5-dihydroxy-3,4,6-trimethylphenyl)prop-2-enyl]-1,3-benzothiazol-6-yl]methylidene]-2,5-dihydroxy-3,6-dimethylcyclohexa-2,5-dien-1-ylidene]propyl]-1,3-benzoxazol-6-yl]methyl]-5-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 123423823
2-[3-[6-[[4-[3-[6-[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-1,3-benzoxazol-2-yl]propyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-1,3-benzothiazol-2-yl]propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 137507132
bis(N-[6-(1H-benzimidazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide);N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;methane;N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide;N-(6-phenacyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide;N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalene-2-carboxamide
CID 160450021
2-[2-(1H-benzimidazol-2-yl)-5-(1,2,3-benzothiadiazol-4-yl)-6-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole
CID 141036240
2-[2-(1H-benzimidazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[2-(1,3-benzothiazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzothiazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzoxazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3H-indol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3H-pyrrol-2-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 157074433
5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole
CID 157107581
2-[4-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole;2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-3H-indole-6-sulfonic acid;2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole-6-sulfonic acid;2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;bis(2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-6-sulfonic acid);bis(2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid);2-[4-(4-sulfo-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-4,6-disulfonic acid;octakis(sulfur trioxide)
CID 157125956
2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole
CID 157306902
1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline
CID 157420502
tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one
CID 157494103
2-[4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]phenyl]-1,3-benzothiazole;2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]phenyl]-1,3-benzoxazole;2-[4-[7-[4-(3H-indol-2-yl)phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-2-yl]phenyl]-1H-benzimidazole
CID 157502514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole (CID 161126950) is 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole is Cc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(C)nc5c4)ccc3o2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)oc5c4)cc3o2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)cc1.Cc1ccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1cccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(C)nc5c4)ccc3o2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)oc5c4)cc3o2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)c1.Cc1cccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.
What is the InChIKey of 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
The InChIKey is ULRMFDBVKUJFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18N4O2S.2C22H16N2O4S.2C22H16N2O2.2C22H16N2S2/c1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)29(27,28)16-7-9-18-20(11-16)24-14(2)23-18;1-13-4-3-5-15(10-13)22-25-19-9-7-17(12-21(19)26-22)29(27,28)16-6-8-18-20(11-16)24-14(2)23-18;1-13-3-5-15(6-4-13)22-24-19-12-17(8-10-21(19)28-22)29(25,26)16-7-9-20-18(11-16)23-14(2)27-20;1-13-4-3-5-15(10-13)22-24-19-12-17(7-9-21(19)28-22)29(25,26)16-6-8-20-18(11-16)23-14(2)27-20;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)25-14(2)23-18;1-13-4-3-5-17(10-13)22-24-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)25-14(2)23-18;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)25-14(2)23-18;1-13-4-3-5-17(10-13)22-24-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)25-14(2)23-18/h2*3-12H,1-2H3,(H,23,24)(H,25,26);2*3-12H,1-2H3;4*3-12H,1-2H3.
What are the key properties of 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole has a molecular weight of 3039.65 g/mol, XLogP of 44.84, 20 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole is sourced from PubChem (CID 161126950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).