3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole

C25H20BrN3O2 — CID 58875260

IUPAC3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESCOc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C25H20BrN3O2/c1-30-18-7-3-5-15(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/h3-14,27H,1-2H3,(H,28,29)
InChIKeyGZCVHTIAUHFIES-UHFFFAOYSA-N
MW474.36 g/mol
LogP6.67
Rot. Bonds5

About 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole

3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole (PubChem CID 58875260) has the molecular formula C25H20BrN3O2 and a molecular weight of 474.36 g/mol. Its IUPAC name is 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
PubChem CID58875260
Molecular FormulaC25H20BrN3O2
Molecular Weight474.36 g/mol
Exact Mass473.07
IUPAC Name3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESCOc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C25H20BrN3O2/c1-30-18-7-3-5-15(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/h3-14,27H,1-2H3,(H,28,29)
InChIKeyGZCVHTIAUHFIES-UHFFFAOYSA-N
XLogP6.67
TPSA62.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.36
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11180628
5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
CID 58319592
4,5-bis(3-methoxyphenyl)-2-(2-phenylphenyl)-1H-imidazole
CID 151753479
2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
CID 6618129
2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide
CID 58882280
2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole
CID 141217433
4-[2-(5-bromo-1H-indol-3-yl)-5-(4-nitrosophenyl)-1H-imidazol-4-yl]phenol
CID 143047836
3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103113
3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole
CID 139927242
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-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 4207500
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane
CID 143047895

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The IUPAC name of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole (CID 58875260) is 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole.
What is the SMILES notation for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The canonical SMILES for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole is COc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)c1.
What is the InChIKey of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The InChIKey is GZCVHTIAUHFIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O2/c1-30-18-7-3-5-15(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/h3-14,27H,1-2H3,(H,28,29).
What are the key properties of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole has a molecular weight of 474.36 g/mol, XLogP of 6.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 58875260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).