1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide

C13H14BrN3O2 — CID 109468078

IUPAC1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide
SMILESO=C(NCCCO)c1cn(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C13H14BrN3O2/c14-10-2-4-11(5-3-10)17-8-12(16-9-17)13(19)15-6-1-7-18/h2-5,8-9,18H,1,6-7H2,(H,15,19)
InChIKeyYMOMAFOZAVEPCZ-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.75
Rot. Bonds5

About 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide

1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide (PubChem CID 109468078) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide
PubChem CID109468078
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide
SMILESO=C(NCCCO)c1cn(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C13H14BrN3O2/c14-10-2-4-11(5-3-10)17-8-12(16-9-17)13(19)15-6-1-7-18/h2-5,8-9,18H,1,6-7H2,(H,15,19)
InChIKeyYMOMAFOZAVEPCZ-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide 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 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide (CID 109468078) is 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide is O=C(NCCCO)c1cn(-c2ccc(Br)cc2)cn1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide?
The InChIKey is YMOMAFOZAVEPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-10-2-4-11(5-3-10)17-8-12(16-9-17)13(19)15-6-1-7-18/h2-5,8-9,18H,1,6-7H2,(H,15,19).
What are the key properties of 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide?
1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide is sourced from PubChem (CID 109468078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).