5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide

C13H13BrClN3O — CID 2970837

IUPAC5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H13BrClN3O/c14-10-2-3-12(15)11(8-10)13(19)17-4-1-6-18-7-5-16-9-18/h2-3,5,7-9H,1,4,6H2,(H,17,19)
InChIKeyORTHMNJAOSKSMO-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.12
Rot. Bonds5

About 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide

5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 2970837) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID2970837
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H13BrClN3O/c14-10-2-3-12(15)11(8-10)13(19)17-4-1-6-18-7-5-16-9-18/h2-3,5,7-9H,1,4,6H2,(H,17,19)
InChIKeyORTHMNJAOSKSMO-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
CID 47099001
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2-chloro-N-(3-imidazol-1-ylpropyl)-5-[[(2S)-3-methylbutan-2-yl]amino]benzamide
CID 95981751
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 167904914
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide (CID 2970837) is 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is ORTHMNJAOSKSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c14-10-2-3-12(15)11(8-10)13(19)17-4-1-6-18-7-5-16-9-18/h2-3,5,7-9H,1,4,6H2,(H,17,19).
What are the key properties of 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide?
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 342.62 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 2970837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).