3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole

C124H92BrF3N18O9 — CID 161272819

IUPAC3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
SMILESCC(=O)n1c(-c2c(C)[nH]c3ccccc23)nc(-c2ccccc2)c1-c1ccccc1.COc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc([N+](=O)[O-])ccc3c3ccccc3c2[nH]1
InChIInChI=1S/C26H21N3O.C25H20BrN3O2.C25H18F3N3.C24H17N5O4.C24H16N4O2/c1-17-23(21-15-9-10-16-22(21)27-17)26-28-24(19-11-5-3-6-12-19)25(29(26)18(2)30)20-13-7-4-8-14-20;1-30-18-7-3-5-15(11-18)23-24(16-6-4-8-19(12-16)31-2)29-25(28-23)21-14-27-22-10-9-17(26)13-20(21)22;1-15-21(19-12-5-6-13-20(19)29-15)24-30-22(16-8-3-2-4-9-16)23(31-24)17-10-7-11-18(14-17)25(26,27)28;1-14-21(19-4-2-3-5-20(19)25-14)24-26-22(15-6-10-17(11-7-15)28(30)31)23(27-24)16-8-12-18(13-9-16)29(32)33;1-13-21(18-8-4-5-9-20(18)25-13)24-26-22-17-7-3-2-6-15(17)16-11-10-14(28(29)30)12-19(16)23(22)27-24/h3-16,27H,1-2H3;3-14,27H,1-2H3,(H,28,29);2-14,29H,1H3,(H,30,31);2-13,25H,1H3,(H,26,27);2-12,25H,1H3,(H,26,27)
InChIKeyVEAXKVRWDKRCEE-UHFFFAOYSA-N
MW2115.11 g/mol
LogP32.48
Rot. Bonds18

About 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole

3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole (PubChem CID 161272819) has the molecular formula C124H92BrF3N18O9 and a molecular weight of 2115.11 g/mol. Its IUPAC name is 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
PubChem CID161272819
Molecular FormulaC124H92BrF3N18O9
Molecular Weight2115.11 g/mol
Exact Mass2112.64
IUPAC Name3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
SMILESCC(=O)n1c(-c2c(C)[nH]c3ccccc23)nc(-c2ccccc2)c1-c1ccccc1.COc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc([N+](=O)[O-])ccc3c3ccccc3c2[nH]1
InChIInChI=1S/C26H21N3O.C25H20BrN3O2.C25H18F3N3.C24H17N5O4.C24H16N4O2/c1-17-23(21-15-9-10-16-22(21)27-17)26-28-24(19-11-5-3-6-12-19)25(29(26)18(2)30)20-13-7-4-8-14-20;1-30-18-7-3-5-15(11-18)23-24(16-6-4-8-19(12-16)31-2)29-25(28-23)21-14-27-22-10-9-17(26)13-20(21)22;1-15-21(19-12-5-6-13-20(19)29-15)24-30-22(16-8-3-2-4-9-16)23(31-24)17-10-7-11-18(14-17)25(26,27)28;1-14-21(19-4-2-3-5-20(19)25-14)24-26-22(15-6-10-17(11-7-15)28(30)31)23(27-24)16-8-12-18(13-9-16)29(32)33;1-13-21(18-8-4-5-9-20(18)25-13)24-26-22-17-7-3-2-6-15(17)16-11-10-14(28(29)30)12-19(16)23(22)27-24/h3-16,27H,1-2H3;3-14,27H,1-2H3,(H,28,29);2-14,29H,1H3,(H,30,31);2-13,25H,1H3,(H,26,27);2-12,25H,1H3,(H,26,27)
InChIKeyVEAXKVRWDKRCEE-UHFFFAOYSA-N
XLogP32.48
TPSA376.44 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002115.11
LogP ≤ 532.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole with MolForge

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Related Compounds

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
5-bromo-3-[5-(3-methoxyphenyl)-4-(3-methylphenyl)-1H-imidazol-2-yl]-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole
CID 157069787
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 157262420
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;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole
CID 157432184
5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 157457326
3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole
CID 157972201
3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline;4-[4-[4-(dimethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]-N,N-dimethylaniline
CID 158196159
3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 159221224
5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 159262022
3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
CID 159701238
3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 159818912
3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;2-methyl-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
CID 159886519

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole (CID 161272819) is 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole is CC(=O)n1c(-c2c(C)[nH]c3ccccc23)nc(-c2ccccc2)c1-c1ccccc1.COc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc([N+](=O)[O-])ccc3c3ccccc3c2[nH]1.
What is the InChIKey of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole?
The InChIKey is VEAXKVRWDKRCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O.C25H20BrN3O2.C25H18F3N3.C24H17N5O4.C24H16N4O2/c1-17-23(21-15-9-10-16-22(21)27-17)26-28-24(19-11-5-3-6-12-19)25(29(26)18(2)30)20-13-7-4-8-14-20;1-30-18-7-3-5-15(11-18)23-24(16-6-4-8-19(12-16)31-2)29-25(28-23)21-14-27-22-10-9-17(26)13-20(21)22;1-15-21(19-12-5-6-13-20(19)29-15)24-30-22(16-8-3-2-4-9-16)23(31-24)17-10-7-11-18(14-17)25(26,27)28;1-14-21(19-4-2-3-5-20(19)25-14)24-26-22(15-6-10-17(11-7-15)28(30)31)23(27-24)16-8-12-18(13-9-16)29(32)33;1-13-21(18-8-4-5-9-20(18)25-13)24-26-22-17-7-3-2-6-15(17)16-11-10-14(28(29)30)12-19(16)23(22)27-24/h3-16,27H,1-2H3;3-14,27H,1-2H3,(H,28,29);2-14,29H,1H3,(H,30,31);2-13,25H,1H3,(H,26,27);2-12,25H,1H3,(H,26,27).
What are the key properties of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole?
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole has a molecular weight of 2115.11 g/mol, XLogP of 32.48, 18 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;1-[2-(2-methyl-1H-indol-3-yl)-4,5-diphenylimidazol-1-yl]ethanone;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 161272819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).