2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide

C25H20BrN5O — CID 58882280

IUPAC2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide
SMILESNCC(=O)Nc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)c1
InChIInChI=1S/C25H20BrN5O/c26-17-9-10-21-19(12-17)20(14-28-21)25-30-23(15-5-2-1-3-6-15)24(31-25)16-7-4-8-18(11-16)29-22(32)13-27/h1-12,14,28H,13,27H2,(H,29,32)(H,30,31)
InChIKeyMGWCNNSGEFPRSM-UHFFFAOYSA-N
MW486.37 g/mol
LogP5.55
Rot. Bonds5

About 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide

2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide (PubChem CID 58882280) has the molecular formula C25H20BrN5O and a molecular weight of 486.37 g/mol. Its IUPAC name is 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide
PubChem CID58882280
Molecular FormulaC25H20BrN5O
Molecular Weight486.37 g/mol
Exact Mass485.09
IUPAC Name2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide
SMILESNCC(=O)Nc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)c1
InChIInChI=1S/C25H20BrN5O/c26-17-9-10-21-19(12-17)20(14-28-21)25-30-23(15-5-2-1-3-6-15)24(31-25)16-7-4-8-18(11-16)29-22(32)13-27/h1-12,14,28H,13,27H2,(H,29,32)(H,30,31)
InChIKeyMGWCNNSGEFPRSM-UHFFFAOYSA-N
XLogP5.55
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.37
LogP ≤ 55.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide (CID 58882280) is 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide is NCC(=O)Nc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)c1.
What is the InChIKey of 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide?
The InChIKey is MGWCNNSGEFPRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN5O/c26-17-9-10-21-19(12-17)20(14-28-21)25-30-23(15-5-2-1-3-6-15)24(31-25)16-7-4-8-18(11-16)29-22(32)13-27/h1-12,14,28H,13,27H2,(H,29,32)(H,30,31).
What are the key properties of 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide?
2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide has a molecular weight of 486.37 g/mol, XLogP of 5.55, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 58882280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).