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

C106H98Br2N16O4 — CID 158196159

IUPAC3-[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
SMILESCN(C)c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(N(C)C)cc2)cc1.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(OC)cc2)cc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)[nH]1
InChIInChI=1S/C28H29N5.C27H26BrN5.C26H23N3O2.C25H20BrN3O2/c1-18-25(23-8-6-7-9-24(23)29-18)28-30-26(19-10-14-21(15-11-19)32(2)3)27(31-28)20-12-16-22(17-13-20)33(4)5;1-32(2)20-10-5-17(6-11-20)25-26(18-7-12-21(13-8-18)33(3)4)31-27(30-25)23-16-29-24-14-9-19(28)15-22(23)24;1-16-23(21-6-4-5-7-22(21)27-16)26-28-24(17-8-12-19(30-2)13-9-17)25(29-26)18-10-14-20(31-3)15-11-18;1-30-18-8-3-15(4-9-18)23-24(16-5-10-19(31-2)11-6-16)29-25(28-23)21-14-27-22-12-7-17(26)13-20(21)22/h6-17,29H,1-5H3,(H,30,31);5-16,29H,1-4H3,(H,30,31);4-15,27H,1-3H3,(H,28,29);3-14,27H,1-2H3,(H,28,29)
InChIKeyGAJBUPAPXKCNRR-UHFFFAOYSA-N
MW1819.87 g/mol
LogP26.01
Rot. Bonds20

About 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

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 (PubChem CID 158196159) has the molecular formula C106H98Br2N16O4 and a molecular weight of 1819.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID158196159
Molecular FormulaC106H98Br2N16O4
Molecular Weight1819.87 g/mol
Exact Mass1816.63
IUPAC Name3-[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
SMILESCN(C)c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(N(C)C)cc2)cc1.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(OC)cc2)cc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)[nH]1
InChIInChI=1S/C28H29N5.C27H26BrN5.C26H23N3O2.C25H20BrN3O2/c1-18-25(23-8-6-7-9-24(23)29-18)28-30-26(19-10-14-21(15-11-19)32(2)3)27(31-28)20-12-16-22(17-13-20)33(4)5;1-32(2)20-10-5-17(6-11-20)25-26(18-7-12-21(13-8-18)33(3)4)31-27(30-25)23-16-29-24-14-9-19(28)15-22(23)24;1-16-23(21-6-4-5-7-22(21)27-16)26-28-24(17-8-12-19(30-2)13-9-17)25(29-26)18-10-14-20(31-3)15-11-18;1-30-18-8-3-15(4-9-18)23-24(16-5-10-19(31-2)11-6-16)29-25(28-23)21-14-27-22-12-7-17(26)13-20(21)22/h6-17,29H,1-5H3,(H,30,31);5-16,29H,1-4H3,(H,30,31);4-15,27H,1-3H3,(H,28,29);3-14,27H,1-2H3,(H,28,29)
InChIKeyGAJBUPAPXKCNRR-UHFFFAOYSA-N
XLogP26.01
TPSA227.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001819.87
LogP ≤ 526.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 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
5-bromo-3-[3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]-1H-indole
CID 165430319
3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole
CID 1531720
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
3-[4,5-bis(2-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11248487
5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
CID 58319592

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(N(C)C)cc2)cc1.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(OC)cc2)cc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)[nH]1.
What is the InChIKey of 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?
The InChIKey is GAJBUPAPXKCNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5.C27H26BrN5.C26H23N3O2.C25H20BrN3O2/c1-18-25(23-8-6-7-9-24(23)29-18)28-30-26(19-10-14-21(15-11-19)32(2)3)27(31-28)20-12-16-22(17-13-20)33(4)5;1-32(2)20-10-5-17(6-11-20)25-26(18-7-12-21(13-8-18)33(3)4)31-27(30-25)23-16-29-24-14-9-19(28)15-22(23)24;1-16-23(21-6-4-5-7-22(21)27-16)26-28-24(17-8-12-19(30-2)13-9-17)25(29-26)18-10-14-20(31-3)15-11-18;1-30-18-8-3-15(4-9-18)23-24(16-5-10-19(31-2)11-6-16)29-25(28-23)21-14-27-22-12-7-17(26)13-20(21)22/h6-17,29H,1-5H3,(H,30,31);5-16,29H,1-4H3,(H,30,31);4-15,27H,1-3H3,(H,28,29);3-14,27H,1-2H3,(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 1819.87 g/mol, XLogP of 26.01, 20 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158196159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).