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

C28H25BrN4 — CID 11271935

IUPAC5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(N5CCCCC5)cc4)[nH]3)c2c1
InChIInChI=1S/C28H25BrN4/c29-21-11-14-25-23(17-21)24(18-30-25)28-31-26(19-7-3-1-4-8-19)27(32-28)20-9-12-22(13-10-20)33-15-5-2-6-16-33/h1,3-4,7-14,17-18,30H,2,5-6,15-16H2,(H,31,32)
InChIKeyBTXIDZFRFMGECS-UHFFFAOYSA-N
MW497.44 g/mol
LogP7.64
Rot. Bonds4

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

5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 11271935) has the molecular formula C28H25BrN4 and a molecular weight of 497.44 g/mol. Its IUPAC name is 5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole
PubChem CID11271935
Molecular FormulaC28H25BrN4
Molecular Weight497.44 g/mol
Exact Mass496.13
IUPAC Name5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(N5CCCCC5)cc4)[nH]3)c2c1
InChIInChI=1S/C28H25BrN4/c29-21-11-14-25-23(17-21)24(18-30-25)28-31-26(19-7-3-1-4-8-19)27(32-28)20-9-12-22(13-10-20)33-15-5-2-6-16-33/h1,3-4,7-14,17-18,30H,2,5-6,15-16H2,(H,31,32)
InChIKeyBTXIDZFRFMGECS-UHFFFAOYSA-N
XLogP7.64
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.44
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole (CID 11271935) is 5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(N5CCCCC5)cc4)[nH]3)c2c1.
What is the InChIKey of 5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?
The InChIKey is BTXIDZFRFMGECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25BrN4/c29-21-11-14-25-23(17-21)24(18-30-25)28-31-26(19-7-3-1-4-8-19)27(32-28)20-9-12-22(13-10-20)33-15-5-2-6-16-33/h1,3-4,7-14,17-18,30H,2,5-6,15-16H2,(H,31,32).
What are the key properties of 5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 497.44 g/mol, XLogP of 7.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 11271935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).