1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone

C15H17BrN2O2 — CID 66152642

IUPAC1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone
SMILESCCCn1cncc1COc1ccc(Br)cc1C(C)=O
InChIInChI=1S/C15H17BrN2O2/c1-3-6-18-10-17-8-13(18)9-20-15-5-4-12(16)7-14(15)11(2)19/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyZWFFLKUWPJXRFR-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.84
Rot. Bonds6

About 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone

1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 66152642) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone
PubChem CID66152642
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone
SMILESCCCn1cncc1COc1ccc(Br)cc1C(C)=O
InChIInChI=1S/C15H17BrN2O2/c1-3-6-18-10-17-8-13(18)9-20-15-5-4-12(16)7-14(15)11(2)19/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyZWFFLKUWPJXRFR-UHFFFAOYSA-N
XLogP3.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone 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

1-[5-bromo-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66139530
3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81445560
5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 66154570
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948379
3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 107738352
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
[6-methyl-3-[(3-propylimidazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79163082
1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66154177
1-[5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanone
CID 78942887
4-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzonitrile
CID 114322780
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 102947375

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone (CID 66152642) is 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone is CCCn1cncc1COc1ccc(Br)cc1C(C)=O.
What is the InChIKey of 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is ZWFFLKUWPJXRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-3-6-18-10-17-8-13(18)9-20-15-5-4-12(16)7-14(15)11(2)19/h4-5,7-8,10H,3,6,9H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone?
1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 337.22 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 66152642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).