2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole

C12H12BrClN2O — CID 117260431

IUPAC2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole
SMILESCC(C)n1c(Cl)cnc1Oc1cccc(Br)c1
InChIInChI=1S/C12H12BrClN2O/c1-8(2)16-11(14)7-15-12(16)17-10-5-3-4-9(13)6-10/h3-8H,1-2H3
InChIKeyZMWIJKGFKABLHZ-UHFFFAOYSA-N
MW315.60 g/mol
LogP4.67
Rot. Bonds3

About 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole

2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole (PubChem CID 117260431) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole
PubChem CID117260431
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole
SMILESCC(C)n1c(Cl)cnc1Oc1cccc(Br)c1
InChIInChI=1S/C12H12BrClN2O/c1-8(2)16-11(14)7-15-12(16)17-10-5-3-4-9(13)6-10/h3-8H,1-2H3
InChIKeyZMWIJKGFKABLHZ-UHFFFAOYSA-N
XLogP4.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole 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

2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole
CID 117190772
2-(3-bromophenoxy)-5-methoxypyridine
CID 106503836
1-[4-(3-bromophenoxy)pyrazol-1-yl]propan-2-amine
CID 117125328
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80948066
2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124618
4-(3-bromophenoxy)-1-methylpyrazole
CID 115047051
N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928291
2-(3-bromophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184509
1-bromo-3-[(2R)-2-methoxypropoxy]benzene
CID 130454030
4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191932
5-(3-bromophenoxy)-2,4-dimethylpyrimidine
CID 115051397
1-bromo-3-[(2S)-3-chloro-2-methylpropoxy]benzene
CID 86611004

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole?
The IUPAC name of 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole (CID 117260431) is 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole.
What is the SMILES notation for 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole?
The canonical SMILES for 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole is CC(C)n1c(Cl)cnc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole?
The InChIKey is ZMWIJKGFKABLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-8(2)16-11(14)7-15-12(16)17-10-5-3-4-9(13)6-10/h3-8H,1-2H3.
What are the key properties of 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole?
2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole has a molecular weight of 315.60 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-5-chloro-1-propan-2-ylimidazole is sourced from PubChem (CID 117260431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).