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

C27H26BrN5 — CID 11386485

IUPAC4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C27H26BrN5/c1-32(2)20-10-5-17(6-11-20)25-26(18-7-12-21(13-8-18)33(3)4)31-27(30-25)23-16-29-24-14-9-19(28)15-22(23)24/h5-16,29H,1-4H3,(H,30,31)
InChIKeyFBJKZQQDKPSHTR-UHFFFAOYSA-N
MW500.44 g/mol
LogP6.79
Rot. Bonds5

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

4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline (PubChem CID 11386485) has the molecular formula C27H26BrN5 and a molecular weight of 500.44 g/mol. Its IUPAC name is 4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline
PubChem CID11386485
Molecular FormulaC27H26BrN5
Molecular Weight500.44 g/mol
Exact Mass499.14
IUPAC Name4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C27H26BrN5/c1-32(2)20-10-5-17(6-11-20)25-26(18-7-12-21(13-8-18)33(3)4)31-27(30-25)23-16-29-24-14-9-19(28)15-22(23)24/h5-16,29H,1-4H3,(H,30,31)
InChIKeyFBJKZQQDKPSHTR-UHFFFAOYSA-N
XLogP6.79
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.44
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline (CID 11386485) is 4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline?
The InChIKey is FBJKZQQDKPSHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrN5/c1-32(2)20-10-5-17(6-11-20)25-26(18-7-12-21(13-8-18)33(3)4)31-27(30-25)23-16-29-24-14-9-19(28)15-22(23)24/h5-16,29H,1-4H3,(H,30,31).
What are the key properties of 4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline?
4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline has a molecular weight of 500.44 g/mol, XLogP of 6.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 11386485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).