2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole

C35H23BrFN3 — CID 122191971

IUPAC2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
SMILESFc1ccc(-n2c(-c3c(-c4ccc(Br)cc4)[nH]c4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H23BrFN3/c36-26-17-15-24(16-18-26)32-31(29-13-7-8-14-30(29)38-32)35-39-33(23-9-3-1-4-10-23)34(25-11-5-2-6-12-25)40(35)28-21-19-27(37)20-22-28/h1-22,38H
InChIKeyUAUVMOJLJLHCKZ-UHFFFAOYSA-N
MW584.49 g/mol
LogP9.92
Rot. Bonds5

About 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole

2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole (PubChem CID 122191971) has the molecular formula C35H23BrFN3 and a molecular weight of 584.49 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
PubChem CID122191971
Molecular FormulaC35H23BrFN3
Molecular Weight584.49 g/mol
Exact Mass583.11
IUPAC Name2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
SMILESFc1ccc(-n2c(-c3c(-c4ccc(Br)cc4)[nH]c4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H23BrFN3/c36-26-17-15-24(16-18-26)32-31(29-13-7-8-14-30(29)38-32)35-39-33(23-9-3-1-4-10-23)34(25-11-5-2-6-12-25)40(35)28-21-19-27(37)20-22-28/h1-22,38H
InChIKeyUAUVMOJLJLHCKZ-UHFFFAOYSA-N
XLogP9.92
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.49
LogP ≤ 59.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
The IUPAC name of 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole (CID 122191971) is 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole.
What is the SMILES notation for 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
The canonical SMILES for 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole is Fc1ccc(-n2c(-c3c(-c4ccc(Br)cc4)[nH]c4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
The InChIKey is UAUVMOJLJLHCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23BrFN3/c36-26-17-15-24(16-18-26)32-31(29-13-7-8-14-30(29)38-32)35-39-33(23-9-3-1-4-10-23)34(25-11-5-2-6-12-25)40(35)28-21-19-27(37)20-22-28/h1-22,38H.
What are the key properties of 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole has a molecular weight of 584.49 g/mol, XLogP of 9.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole is sourced from PubChem (CID 122191971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).