3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol

C96H70Br2F4N12O2 — CID 159343340

IUPAC3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2c1.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccc(CO)cc2)cc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H23N3O2.C24H17F2N3.C23H14BrF2N3.C23H16BrN3/c1-16-23(21-5-3-4-6-22(21)27-16)26-28-24(18-9-7-17(15-30)8-10-18)25(29-26)19-11-13-20(31-2)14-12-19;1-14-21(19-4-2-3-5-20(19)27-14)24-28-22(15-6-10-17(25)11-7-15)23(29-24)16-8-12-18(26)13-9-16;24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14;24-17-11-12-20-18(13-17)19(14-25-20)23-26-21(15-7-3-1-4-8-15)22(27-23)16-9-5-2-6-10-16/h3-14,27,30H,15H2,1-2H3,(H,28,29);2-13,27H,1H3,(H,28,29);1-12,27H,(H,28,29);1-14,25H,(H,26,27)
InChIKeyLGKDBRYZRIOMEF-UHFFFAOYSA-N
MW1659.50 g/mol
LogP25.77
Rot. Bonds14

About 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol

3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol (PubChem CID 159343340) has the molecular formula C96H70Br2F4N12O2 and a molecular weight of 1659.50 g/mol. Its IUPAC name is 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol
PubChem CID159343340
Molecular FormulaC96H70Br2F4N12O2
Molecular Weight1659.50 g/mol
Exact Mass1656.40
IUPAC Name3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2c1.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccc(CO)cc2)cc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H23N3O2.C24H17F2N3.C23H14BrF2N3.C23H16BrN3/c1-16-23(21-5-3-4-6-22(21)27-16)26-28-24(18-9-7-17(15-30)8-10-18)25(29-26)19-11-13-20(31-2)14-12-19;1-14-21(19-4-2-3-5-20(19)27-14)24-28-22(15-6-10-17(25)11-7-15)23(29-24)16-8-12-18(26)13-9-16;24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14;24-17-11-12-20-18(13-17)19(14-25-20)23-26-21(15-7-3-1-4-8-15)22(27-23)16-9-5-2-6-10-16/h3-14,27,30H,15H2,1-2H3,(H,28,29);2-13,27H,1H3,(H,28,29);1-12,27H,(H,28,29);1-14,25H,(H,26,27)
InChIKeyLGKDBRYZRIOMEF-UHFFFAOYSA-N
XLogP25.77
TPSA207.34 Ų
H-Bond Donors9
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001659.50
LogP ≤ 525.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Analyze 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol with MolForge

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Related Compounds

3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 10438518
1-butyl-3-(5-phenyl-1H-imidazol-2-yl)-9H-pyrido[3,4-b]indole;1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-9H-pyrido[3,4-b]indole;3-(5-phenyl-1H-imidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indole
CID 161145266
3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11167407
5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
CID 58319592
5-bromo-3-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]-1H-indole
CID 58319598
[2-[2-(5-bromo-1H-indol-3-yl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]phenyl]methanol
CID 58319601
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 58875260
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone
CID 123380034
4-[2-(5-bromo-1H-indol-3-yl)-5-[4-(methylaminomethyl)phenyl]-1H-imidazol-4-yl]-N,N-dimethylaniline;5-bromo-3-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]-1H-indole;N,N-dimethyl-4-[5-[4-(methylaminomethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-4-yl]aniline
CID 123815234
4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 135487684
3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol
CID 137057978
5-bromo-3-[4-(3-methoxy-4-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 143655478

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol?
The IUPAC name of 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol (CID 159343340) is 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol.
What is the SMILES notation for 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol?
The canonical SMILES for 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2c1.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccc(CO)cc2)cc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol?
The InChIKey is LGKDBRYZRIOMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2.C24H17F2N3.C23H14BrF2N3.C23H16BrN3/c1-16-23(21-5-3-4-6-22(21)27-16)26-28-24(18-9-7-17(15-30)8-10-18)25(29-26)19-11-13-20(31-2)14-12-19;1-14-21(19-4-2-3-5-20(19)27-14)24-28-22(15-6-10-17(25)11-7-15)23(29-24)16-8-12-18(26)13-9-16;24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14;24-17-11-12-20-18(13-17)19(14-25-20)23-26-21(15-7-3-1-4-8-15)22(27-23)16-9-5-2-6-10-16/h3-14,27,30H,15H2,1-2H3,(H,28,29);2-13,27H,1H3,(H,28,29);1-12,27H,(H,28,29);1-14,25H,(H,26,27).
What are the key properties of 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol?
3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol has a molecular weight of 1659.50 g/mol, XLogP of 25.77, 14 rotatable bonds, 9 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole;[4-[4-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]phenyl]methanol is sourced from PubChem (CID 159343340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).