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

C80H75Br2N13O — CID 123815234

IUPAC4-[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
SMILESCNCc1ccc(-c2[nH]c(-c3c(C)[nH]c4ccccc34)nc2-c2ccc(N(C)C)cc2)cc1.CNCc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(N(C)C)cc2)cc1.COc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H29N5.C27H26BrN5.C25H20BrN3O/c1-18-25(23-7-5-6-8-24(23)30-18)28-31-26(20-11-9-19(10-12-20)17-29-2)27(32-28)21-13-15-22(16-14-21)33(3)4;1-29-15-17-4-6-18(7-5-17)25-26(19-8-11-21(12-9-19)33(2)3)32-27(31-25)23-16-30-24-13-10-20(28)14-22(23)24;1-15-3-5-16(6-4-15)23-24(17-7-10-19(30-2)11-8-17)29-25(28-23)21-14-27-22-12-9-18(26)13-20(21)22/h5-16,29-30H,17H2,1-4H3,(H,31,32);4-14,16,29-30H,15H2,1-3H3,(H,31,32);3-14,27H,1-2H3,(H,28,29)
InChIKeyOKUPPXCXJVZCCX-UHFFFAOYSA-N
MW1394.38 g/mol
LogP19.40
Rot. Bonds16

About 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

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 (PubChem CID 123815234) has the molecular formula C80H75Br2N13O and a molecular weight of 1394.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID123815234
Molecular FormulaC80H75Br2N13O
Molecular Weight1394.38 g/mol
Exact Mass1391.46
IUPAC Name4-[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
SMILESCNCc1ccc(-c2[nH]c(-c3c(C)[nH]c4ccccc34)nc2-c2ccc(N(C)C)cc2)cc1.CNCc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(N(C)C)cc2)cc1.COc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H29N5.C27H26BrN5.C25H20BrN3O/c1-18-25(23-7-5-6-8-24(23)30-18)28-31-26(20-11-9-19(10-12-20)17-29-2)27(32-28)21-13-15-22(16-14-21)33(3)4;1-29-15-17-4-6-18(7-5-17)25-26(19-8-11-21(12-9-19)33(2)3)32-27(31-25)23-16-30-24-13-10-20(28)14-22(23)24;1-15-3-5-16(6-4-15)23-24(17-7-10-19(30-2)11-8-17)29-25(28-23)21-14-27-22-12-9-18(26)13-20(21)22/h5-16,29-30H,17H2,1-4H3,(H,31,32);4-14,16,29-30H,15H2,1-3H3,(H,31,32);3-14,27H,1-2H3,(H,28,29)
InChIKeyOKUPPXCXJVZCCX-UHFFFAOYSA-N
XLogP19.40
TPSA173.18 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.38
LogP ≤ 519.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[(5-bromo-1H-indol-3-yl)-(1H-indol-3-yl)methyl]-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 145949739
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(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
5-bromo-2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-indole
CID 156087234
2-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-methoxyphenyl)cyclohexyl]phenyl]-5-[2-[(2S)-1-[(3S)-3,4-dimethylpent-1-en-2-yl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-indol-2-yl]pyrrolidin-1-yl]prop-2-en-1-amine
CID 144433467
5-bromo-3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]-1H-indole
CID 165430319
3-[4-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]-1H-indole
CID 9887658
3-[2-(4-hexylphenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 9889928
3-[4-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)-1H-imidazol-5-yl]-1H-indole
CID 9932640
3-[2-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 9953058
3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11167407

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNCc1ccc(-c2[nH]c(-c3c(C)[nH]c4ccccc34)nc2-c2ccc(N(C)C)cc2)cc1.CNCc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(N(C)C)cc2)cc1.COc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is OKUPPXCXJVZCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5.C27H26BrN5.C25H20BrN3O/c1-18-25(23-7-5-6-8-24(23)30-18)28-31-26(20-11-9-19(10-12-20)17-29-2)27(32-28)21-13-15-22(16-14-21)33(3)4;1-29-15-17-4-6-18(7-5-17)25-26(19-8-11-21(12-9-19)33(2)3)32-27(31-25)23-16-30-24-13-10-20(28)14-22(23)24;1-15-3-5-16(6-4-15)23-24(17-7-10-19(30-2)11-8-17)29-25(28-23)21-14-27-22-12-9-18(26)13-20(21)22/h5-16,29-30H,17H2,1-4H3,(H,31,32);4-14,16,29-30H,15H2,1-3H3,(H,31,32);3-14,27H,1-2H3,(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 1394.38 g/mol, XLogP of 19.40, 16 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123815234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).