4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride

C13H15BrClN3O — CID 17065285

IUPAC4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O.ClH/c14-12-4-2-11(3-5-12)13(18)16-6-1-8-17-9-7-15-10-17;/h2-5,7,9-10H,1,6,8H2,(H,16,18);1H
InChIKeyYCKVTTSFKLEHTE-UHFFFAOYSA-N
MW344.64 g/mol
LogP2.89
Rot. Bonds5

About 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride

4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride (PubChem CID 17065285) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
PubChem CID17065285
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC Name4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O.ClH/c14-12-4-2-11(3-5-12)13(18)16-6-1-8-17-9-7-15-10-17;/h2-5,7,9-10H,1,6,8H2,(H,16,18);1H
InChIKeyYCKVTTSFKLEHTE-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride 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 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride (CID 17065285) is 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride is Cl.O=C(NCCCn1ccnc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is YCKVTTSFKLEHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O.ClH/c14-12-4-2-11(3-5-12)13(18)16-6-1-8-17-9-7-15-10-17;/h2-5,7,9-10H,1,6,8H2,(H,16,18);1H.
What are the key properties of 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride?
4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 344.64 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 17065285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).