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

C23H15BrN4O2 — CID 11224936

IUPAC5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESO=[N+]([O-])c1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H15BrN4O2/c24-16-8-11-20-18(12-16)19(13-25-20)23-26-21(14-4-2-1-3-5-14)22(27-23)15-6-9-17(10-7-15)28(29)30/h1-13,25H,(H,26,27)
InChIKeyQPVNFCZDBKBOIZ-UHFFFAOYSA-N
MW459.30 g/mol
LogP6.56
Rot. Bonds4

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

5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 11224936) has the molecular formula C23H15BrN4O2 and a molecular weight of 459.30 g/mol. Its IUPAC name is 5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
PubChem CID11224936
Molecular FormulaC23H15BrN4O2
Molecular Weight459.30 g/mol
Exact Mass458.04
IUPAC Name5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESO=[N+]([O-])c1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H15BrN4O2/c24-16-8-11-20-18(12-16)19(13-25-20)23-26-21(14-4-2-1-3-5-14)22(27-23)15-6-9-17(10-7-15)28(29)30/h1-13,25H,(H,26,27)
InChIKeyQPVNFCZDBKBOIZ-UHFFFAOYSA-N
XLogP6.56
TPSA87.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.30
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (CID 11224936) is 5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is O=[N+]([O-])c1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is QPVNFCZDBKBOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN4O2/c24-16-8-11-20-18(12-16)19(13-25-20)23-26-21(14-4-2-1-3-5-14)22(27-23)15-6-9-17(10-7-15)28(29)30/h1-13,25H,(H,26,27).
What are the key properties of 5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 459.30 g/mol, XLogP of 6.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 11224936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).