4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline

C26H23BrN4 — CID 58875257

IUPAC4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline
SMILESCc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H23BrN4/c1-16-4-6-17(7-5-16)24-25(18-8-11-20(12-9-18)31(2)3)30-26(29-24)22-15-28-23-13-10-19(27)14-21(22)23/h4-15,28H,1-3H3,(H,29,30)
InChIKeyBPCSMBWFIBVZLJ-UHFFFAOYSA-N
MW471.40 g/mol
LogP7.03
Rot. Bonds4

About 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline

4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline (PubChem CID 58875257) has the molecular formula C26H23BrN4 and a molecular weight of 471.40 g/mol. Its IUPAC name is 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline
PubChem CID58875257
Molecular FormulaC26H23BrN4
Molecular Weight471.40 g/mol
Exact Mass470.11
IUPAC Name4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline
SMILESCc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H23BrN4/c1-16-4-6-17(7-5-16)24-25(18-8-11-20(12-9-18)31(2)3)30-26(29-24)22-15-28-23-13-10-19(27)14-21(22)23/h4-15,28H,1-3H3,(H,29,30)
InChIKeyBPCSMBWFIBVZLJ-UHFFFAOYSA-N
XLogP7.03
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.40
LogP ≤ 57.03
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 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline (CID 58875257) is 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline is Cc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline?
The InChIKey is BPCSMBWFIBVZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN4/c1-16-4-6-17(7-5-16)24-25(18-8-11-20(12-9-18)31(2)3)30-26(29-24)22-15-28-23-13-10-19(27)14-21(22)23/h4-15,28H,1-3H3,(H,29,30).
What are the key properties of 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline?
4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline has a molecular weight of 471.40 g/mol, XLogP of 7.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-1H-indol-3-yl)-5-(4-methylphenyl)-1H-imidazol-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 58875257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).