5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole

C23H15BrFN3 — CID 1253579

IUPAC5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESFc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H15BrFN3/c24-16-8-11-20-18(12-16)19(13-26-20)23-27-21(14-4-2-1-3-5-14)22(28-23)15-6-9-17(25)10-7-15/h1-13,26H,(H,27,28)
InChIKeyAORMSLQVQCQSJU-UHFFFAOYSA-N
MW432.30 g/mol
LogP6.79
Rot. Bonds3

About 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole

5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 1253579) has the molecular formula C23H15BrFN3 and a molecular weight of 432.30 g/mol. Its IUPAC name is 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
PubChem CID1253579
Molecular FormulaC23H15BrFN3
Molecular Weight432.30 g/mol
Exact Mass431.04
IUPAC Name5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESFc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H15BrFN3/c24-16-8-11-20-18(12-16)19(13-26-20)23-27-21(14-4-2-1-3-5-14)22(28-23)15-6-9-17(25)10-7-15/h1-13,26H,(H,27,28)
InChIKeyAORMSLQVQCQSJU-UHFFFAOYSA-N
XLogP6.79
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.30
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (CID 1253579) is 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is Fc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is AORMSLQVQCQSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrFN3/c24-16-8-11-20-18(12-16)19(13-26-20)23-27-21(14-4-2-1-3-5-14)22(28-23)15-6-9-17(25)10-7-15/h1-13,26H,(H,27,28).
What are the key properties of 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 432.30 g/mol, XLogP of 6.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 1253579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).