4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole

C85H54Br5Cl2FN12OS2 — CID 157395864

IUPAC4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4cccs4)c(-c4cccs4)[nH]3)c2c1.Clc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(Cl)c2)c1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccncc2)cc1.Oc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C23H14BrCl2N3.C22H14BrFN4.C21H14Br2N2O.C19H12BrN3S2/c24-15-7-8-20-18(11-15)19(12-27-20)23-28-21(13-3-1-5-16(25)9-13)22(29-23)14-4-2-6-17(26)10-14;23-15-3-6-19-17(11-15)18(12-26-19)22-27-20(13-1-4-16(24)5-2-13)21(28-22)14-7-9-25-10-8-14;22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)25-21(24-19)15-5-11-18(26)12-6-15;20-11-5-6-14-12(9-11)13(10-21-14)19-22-17(15-3-1-7-24-15)18(23-19)16-4-2-8-25-16/h1-12,27H,(H,28,29);1-12,26H,(H,27,28);1-12,26H,(H,24,25);1-10,21H,(H,22,23)
InChIKeyBMOHUBXAPPYAAT-UHFFFAOYSA-N
MW1813.01 g/mol
LogP27.57
Rot. Bonds12

About 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole

4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole (PubChem CID 157395864) has the molecular formula C85H54Br5Cl2FN12OS2 and a molecular weight of 1813.01 g/mol. Its IUPAC name is 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole
PubChem CID157395864
Molecular FormulaC85H54Br5Cl2FN12OS2
Molecular Weight1813.01 g/mol
Exact Mass1805.93
IUPAC Name4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4cccs4)c(-c4cccs4)[nH]3)c2c1.Clc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(Cl)c2)c1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccncc2)cc1.Oc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C23H14BrCl2N3.C22H14BrFN4.C21H14Br2N2O.C19H12BrN3S2/c24-15-7-8-20-18(11-15)19(12-27-20)23-28-21(13-3-1-5-16(25)9-13)22(29-23)14-4-2-6-17(26)10-14;23-15-3-6-19-17(11-15)18(12-26-19)22-27-20(13-1-4-16(24)5-2-13)21(28-22)14-7-9-25-10-8-14;22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)25-21(24-19)15-5-11-18(26)12-6-15;20-11-5-6-14-12(9-11)13(10-21-14)19-22-17(15-3-1-7-24-15)18(23-19)16-4-2-8-25-16/h1-12,27H,(H,28,29);1-12,26H,(H,27,28);1-12,26H,(H,24,25);1-10,21H,(H,22,23)
InChIKeyBMOHUBXAPPYAAT-UHFFFAOYSA-N
XLogP27.57
TPSA195.21 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001813.01
LogP ≤ 527.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole with MolForge

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Related Compounds

3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11180628
4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol
CID 143047836
2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide
CID 58882280
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 58875260
4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54172042
2-(4-chlorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
CID 3734578
2-(3-bromo-4-fluorophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
CID 5209983
5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
CID 58319592
4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol
CID 137282865
CID 89277694
CID 89277694
4-[4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine
CID 10066912

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole (CID 157395864) is 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4cccs4)c(-c4cccs4)[nH]3)c2c1.Clc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(Cl)c2)c1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccncc2)cc1.Oc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1.
What is the InChIKey of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is BMOHUBXAPPYAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrCl2N3.C22H14BrFN4.C21H14Br2N2O.C19H12BrN3S2/c24-15-7-8-20-18(11-15)19(12-27-20)23-28-21(13-3-1-5-16(25)9-13)22(29-23)14-4-2-6-17(26)10-14;23-15-3-6-19-17(11-15)18(12-26-19)22-27-20(13-1-4-16(24)5-2-13)21(28-22)14-7-9-25-10-8-14;22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)25-21(24-19)15-5-11-18(26)12-6-15;20-11-5-6-14-12(9-11)13(10-21-14)19-22-17(15-3-1-7-24-15)18(23-19)16-4-2-8-25-16/h1-12,27H,(H,28,29);1-12,26H,(H,27,28);1-12,26H,(H,24,25);1-10,21H,(H,22,23).
What are the key properties of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 1813.01 g/mol, XLogP of 27.57, 12 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(3-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 157395864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).