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

C23H14BrF2N3 — CID 11385393

IUPAC3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESFc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H14BrF2N3/c24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14/h1-12,27H,(H,28,29)
InChIKeySJFBDIJRNXAXRM-UHFFFAOYSA-N
MW450.29 g/mol
LogP6.93
Rot. Bonds3

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

3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole (PubChem CID 11385393) has the molecular formula C23H14BrF2N3 and a molecular weight of 450.29 g/mol. Its IUPAC name is 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
PubChem CID11385393
Molecular FormulaC23H14BrF2N3
Molecular Weight450.29 g/mol
Exact Mass449.03
IUPAC Name3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESFc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H14BrF2N3/c24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14/h1-12,27H,(H,28,29)
InChIKeySJFBDIJRNXAXRM-UHFFFAOYSA-N
XLogP6.93
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.29
LogP ≤ 56.93
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 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The IUPAC name of 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole (CID 11385393) is 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole.
What is the SMILES notation for 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The canonical SMILES for 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole is Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The InChIKey is SJFBDIJRNXAXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrF2N3/c24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14/h1-12,27H,(H,28,29).
What are the key properties of 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole has a molecular weight of 450.29 g/mol, XLogP of 6.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole is sourced from PubChem (CID 11385393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).