3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole

C113H81Cl2F3N20O7 — CID 159693122

IUPAC3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1c(C)cc(-c2nc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)no2)cc1C.COc1ccc(-c2nc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)no2)cc1C.Cc1cc(C)cc(-c2nc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)no2)c1.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)no2)cc1.Clc1ccc2nc(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)[nH]c2c1
InChIInChI=1S/C24H19FN4O2.C23H17FN4O2.C23H17FN4O.C22H15ClN4O.C21H13ClN4O/c1-13-10-17(11-14(2)21(13)30-3)24-28-23(29-31-24)16-6-4-15(5-7-16)22-26-19-9-8-18(25)12-20(19)27-22;1-13-11-16(7-10-20(13)29-2)23-27-22(28-30-23)15-5-3-14(4-6-15)21-25-18-9-8-17(24)12-19(18)26-21;1-13-9-14(2)11-17(10-13)23-27-22(28-29-23)16-5-3-15(4-6-16)21-25-19-8-7-18(24)12-20(19)26-21;1-13-2-4-16(5-3-13)22-26-21(27-28-22)15-8-6-14(7-9-15)20-24-18-11-10-17(23)12-19(18)25-20;22-16-10-11-17-18(12-16)24-19(23-17)13-6-8-14(9-7-13)20-25-21(27-26-20)15-4-2-1-3-5-15/h4-12H,1-3H3,(H,26,27);3-12H,1-2H3,(H,25,26);3-12H,1-2H3,(H,25,26);2-12H,1H3,(H,24,25);1-12H,(H,23,24)
InChIKeyMWQXRDRNFCTPNT-UHFFFAOYSA-N
MW1958.92 g/mol
LogP28.33
Rot. Bonds17

About 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole

3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 159693122) has the molecular formula C113H81Cl2F3N20O7 and a molecular weight of 1958.92 g/mol. Its IUPAC name is 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
PubChem CID159693122
Molecular FormulaC113H81Cl2F3N20O7
Molecular Weight1958.92 g/mol
Exact Mass1956.59
IUPAC Name3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1c(C)cc(-c2nc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)no2)cc1C.COc1ccc(-c2nc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)no2)cc1C.Cc1cc(C)cc(-c2nc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)no2)c1.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)no2)cc1.Clc1ccc2nc(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)[nH]c2c1
InChIInChI=1S/C24H19FN4O2.C23H17FN4O2.C23H17FN4O.C22H15ClN4O.C21H13ClN4O/c1-13-10-17(11-14(2)21(13)30-3)24-28-23(29-31-24)16-6-4-15(5-7-16)22-26-19-9-8-18(25)12-20(19)27-22;1-13-11-16(7-10-20(13)29-2)23-27-22(28-30-23)15-5-3-14(4-6-15)21-25-18-9-8-17(24)12-19(18)26-21;1-13-9-14(2)11-17(10-13)23-27-22(28-29-23)16-5-3-15(4-6-16)21-25-19-8-7-18(24)12-20(19)26-21;1-13-2-4-16(5-3-13)22-26-21(27-28-22)15-8-6-14(7-9-15)20-24-18-11-10-17(23)12-19(18)25-20;22-16-10-11-17-18(12-16)24-19(23-17)13-6-8-14(9-7-13)20-25-21(27-26-20)15-4-2-1-3-5-15/h4-12H,1-3H3,(H,26,27);3-12H,1-2H3,(H,25,26);3-12H,1-2H3,(H,25,26);2-12H,1H3,(H,24,25);1-12H,(H,23,24)
InChIKeyMWQXRDRNFCTPNT-UHFFFAOYSA-N
XLogP28.33
TPSA356.46 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.92
LogP ≤ 528.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
CID 118631902
3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 118631907
4-chloro-2-nitroaniline;6-chloro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(4-methoxyphenyl)methanone;[6-chloro-2-[3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(4-methoxyphenyl)methanone;4-methoxybenzoyl chloride;3-(trifluoromethyl)benzaldehyde
CID 167694896
3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 118624472
3-(4-(5-Chloro-1H-benzo[d]imidazol-2-yl)phenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 118624723
3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
CID 118631898
3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 118631899
3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
CID 118631915
3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 118631916
3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;tris(3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole);3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole
CID 157457529
2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 157838241
3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole;tris(3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole)
CID 157970957

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole (CID 159693122) is 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole is COc1c(C)cc(-c2nc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)no2)cc1C.COc1ccc(-c2nc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)no2)cc1C.Cc1cc(C)cc(-c2nc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)no2)c1.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)no2)cc1.Clc1ccc2nc(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)[nH]c2c1.
What is the InChIKey of 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is MWQXRDRNFCTPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2.C23H17FN4O2.C23H17FN4O.C22H15ClN4O.C21H13ClN4O/c1-13-10-17(11-14(2)21(13)30-3)24-28-23(29-31-24)16-6-4-15(5-7-16)22-26-19-9-8-18(25)12-20(19)27-22;1-13-11-16(7-10-20(13)29-2)23-27-22(28-30-23)15-5-3-14(4-6-15)21-25-18-9-8-17(24)12-19(18)26-21;1-13-9-14(2)11-17(10-13)23-27-22(28-29-23)16-5-3-15(4-6-16)21-25-19-8-7-18(24)12-20(19)26-21;1-13-2-4-16(5-3-13)22-26-21(27-28-22)15-8-6-14(7-9-15)20-24-18-11-10-17(23)12-19(18)25-20;22-16-10-11-17-18(12-16)24-19(23-17)13-6-8-14(9-7-13)20-25-21(27-26-20)15-4-2-1-3-5-15/h4-12H,1-3H3,(H,26,27);3-12H,1-2H3,(H,25,26);3-12H,1-2H3,(H,25,26);2-12H,1H3,(H,24,25);1-12H,(H,23,24).
What are the key properties of 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 1958.92 g/mol, XLogP of 28.33, 17 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole;5-(3,5-dimethylphenyl)-3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 159693122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).