5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine

C17H24BrN3 — CID 53302863

IUPAC5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine
SMILESCCCCCCCCNc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C17H24BrN3/c1-2-3-4-5-6-7-12-19-17-20-13-16(21-17)14-8-10-15(18)11-9-14/h8-11,13H,2-7,12H2,1H3,(H2,19,20,21)
InChIKeyFDGXAFKJHLCIOB-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.61
Rot. Bonds9

About 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine

5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine (PubChem CID 53302863) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine
PubChem CID53302863
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine
SMILESCCCCCCCCNc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C17H24BrN3/c1-2-3-4-5-6-7-12-19-17-20-13-16(21-17)14-8-10-15(18)11-9-14/h8-11,13H,2-7,12H2,1H3,(H2,19,20,21)
InChIKeyFDGXAFKJHLCIOB-UHFFFAOYSA-N
XLogP5.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine 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 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine?
The IUPAC name of 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine (CID 53302863) is 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine is CCCCCCCCNc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine?
The InChIKey is FDGXAFKJHLCIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-2-3-4-5-6-7-12-19-17-20-13-16(21-17)14-8-10-15(18)11-9-14/h8-11,13H,2-7,12H2,1H3,(H2,19,20,21).
What are the key properties of 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine?
5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine has a molecular weight of 350.30 g/mol, XLogP of 5.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-octyl-1H-imidazol-2-amine is sourced from PubChem (CID 53302863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).