N-(3-imidazol-1-ylpropyl)-4-iodobenzamide

C13H14IN3O — CID 4877443

IUPACN-(3-imidazol-1-ylpropyl)-4-iodobenzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(I)cc1
InChIInChI=1S/C13H14IN3O/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)
InChIKeyYULOHVRGXUAELV-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.31
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-4-iodobenzamide

N-(3-imidazol-1-ylpropyl)-4-iodobenzamide (PubChem CID 4877443) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-iodobenzamide
PubChem CID4877443
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-iodobenzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(I)cc1
InChIInChI=1S/C13H14IN3O/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)
InChIKeyYULOHVRGXUAELV-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-4-iodobenzamide 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 N-(3-imidazol-1-ylpropyl)-4-iodobenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-iodobenzamide (CID 4877443) is N-(3-imidazol-1-ylpropyl)-4-iodobenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-iodobenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-iodobenzamide is O=C(NCCCn1ccnc1)c1ccc(I)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-iodobenzamide?
The InChIKey is YULOHVRGXUAELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/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).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-iodobenzamide?
N-(3-imidazol-1-ylpropyl)-4-iodobenzamide has a molecular weight of 355.18 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-iodobenzamide is sourced from PubChem (CID 4877443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).