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

C22H14BrFN4 — CID 11475995

IUPAC5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole
SMILESFc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C22H14BrFN4/c23-15-3-6-19-17(11-15)18(12-26-19)22-27-20(13-1-4-16(24)5-2-13)21(28-22)14-7-9-25-10-8-14/h1-12,26H,(H,27,28)
InChIKeyRSVBOIIBDNZELO-UHFFFAOYSA-N
MW433.28 g/mol
LogP6.19
Rot. Bonds3

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

5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole (PubChem CID 11475995) has the molecular formula C22H14BrFN4 and a molecular weight of 433.28 g/mol. Its IUPAC name is 5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole
PubChem CID11475995
Molecular FormulaC22H14BrFN4
Molecular Weight433.28 g/mol
Exact Mass432.04
IUPAC Name5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole
SMILESFc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C22H14BrFN4/c23-15-3-6-19-17(11-15)18(12-26-19)22-27-20(13-1-4-16(24)5-2-13)21(28-22)14-7-9-25-10-8-14/h1-12,26H,(H,27,28)
InChIKeyRSVBOIIBDNZELO-UHFFFAOYSA-N
XLogP6.19
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.28
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole (CID 11475995) is 5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole is Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is RSVBOIIBDNZELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrFN4/c23-15-3-6-19-17(11-15)18(12-26-19)22-27-20(13-1-4-16(24)5-2-13)21(28-22)14-7-9-25-10-8-14/h1-12,26H,(H,27,28).
What are the key properties of 5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 433.28 g/mol, XLogP of 6.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 11475995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).