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

C115H89BrN20O6 — CID 157457529

IUPAC3-[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
SMILESCOc1c(C)cc(-c2nc(-c3ccc(-c4nc5ccc(Br)cc5[nH]4)cc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1.Cc1ccc2nc(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)[nH]c2c1
InChIInChI=1S/C24H19BrN4O2.3C23H18N4O.C22H16N4O/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;3*1-14-3-6-18(7-4-14)23-26-22(27-28-23)17-10-8-16(9-11-17)21-24-19-12-5-15(2)13-20(19)25-21;1-14-7-12-18-19(13-14)24-20(23-18)15-8-10-16(11-9-15)21-25-22(27-26-21)17-5-3-2-4-6-17/h4-12H,1-3H3,(H,26,27);3*3-13H,1-2H3,(H,24,25);2-13H,1H3,(H,23,24)
InChIKeyBTNPNGYWHQXJOQ-UHFFFAOYSA-N
MW1927.01 g/mol
LogP28.28
Rot. Bonds16

About 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

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 (PubChem CID 157457529) has the molecular formula C115H89BrN20O6 and a molecular weight of 1927.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID157457529
Molecular FormulaC115H89BrN20O6
Molecular Weight1927.01 g/mol
Exact Mass1924.65
IUPAC Name3-[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
SMILESCOc1c(C)cc(-c2nc(-c3ccc(-c4nc5ccc(Br)cc5[nH]4)cc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1.Cc1ccc2nc(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)[nH]c2c1
InChIInChI=1S/C24H19BrN4O2.3C23H18N4O.C22H16N4O/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;3*1-14-3-6-18(7-4-14)23-26-22(27-28-23)17-10-8-16(9-11-17)21-24-19-12-5-15(2)13-20(19)25-21;1-14-7-12-18-19(13-14)24-20(23-18)15-8-10-16(11-9-15)21-25-22(27-26-21)17-5-3-2-4-6-17/h4-12H,1-3H3,(H,26,27);3*3-13H,1-2H3,(H,24,25);2-13H,1H3,(H,23,24)
InChIKeyBTNPNGYWHQXJOQ-UHFFFAOYSA-N
XLogP28.28
TPSA347.23 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001927.01
LogP ≤ 528.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271
3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 118624494
3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 118624363
3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 118624443
5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
CID 118624693
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
CID 64723120
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(C)cc(-c2nc(-c3ccc(-c4nc5ccc(Br)cc5[nH]4)cc3)no2)cc1C.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1.Cc1ccc(-c2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)no2)cc1.Cc1ccc2nc(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is BTNPNGYWHQXJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4O2.3C23H18N4O.C22H16N4O/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;3*1-14-3-6-18(7-4-14)23-26-22(27-28-23)17-10-8-16(9-11-17)21-24-19-12-5-15(2)13-20(19)25-21;1-14-7-12-18-19(13-14)24-20(23-18)15-8-10-16(11-9-15)21-25-22(27-26-21)17-5-3-2-4-6-17/h4-12H,1-3H3,(H,26,27);3*3-13H,1-2H3,(H,24,25);2-13H,1H3,(H,23,24).
What are the key properties of 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?
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 has a molecular weight of 1927.01 g/mol, XLogP of 28.28, 16 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157457529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).