2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole

C10H8BrClN2O — CID 117191551

IUPAC2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole
SMILESClc1ccc(OCc2cnc(Br)[nH]2)cc1
InChIInChI=1S/C10H8BrClN2O/c11-10-13-5-8(14-10)6-15-9-3-1-7(12)2-4-9/h1-5H,6H2,(H,13,14)
InChIKeyLYILWBFNOPYZQM-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.40
Rot. Bonds3

About 2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole

2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole (PubChem CID 117191551) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is 2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole
PubChem CID117191551
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole
SMILESClc1ccc(OCc2cnc(Br)[nH]2)cc1
InChIInChI=1S/C10H8BrClN2O/c11-10-13-5-8(14-10)6-15-9-3-1-7(12)2-4-9/h1-5H,6H2,(H,13,14)
InChIKeyLYILWBFNOPYZQM-UHFFFAOYSA-N
XLogP3.40
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-chlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292085
1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
CID 134102081
2-chloro-5-[(4-chlorophenoxy)methyl]pyrazine
CID 103054702
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
6-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrimidine-2-thione
CID 66490192
2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole
CID 20529064
7-chloro-3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256539
6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one
CID 70149683
3-bromo-4-[(4-chlorophenoxy)methyl]aniline
CID 54918278
5-[(4-chlorophenoxy)methyl]-3-ethyl-1H-1,2,4-triazole
CID 61278331
2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole?
The IUPAC name of 2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole (CID 117191551) is 2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole.
What is the SMILES notation for 2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole?
The canonical SMILES for 2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole is Clc1ccc(OCc2cnc(Br)[nH]2)cc1.
What is the InChIKey of 2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole?
The InChIKey is LYILWBFNOPYZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c11-10-13-5-8(14-10)6-15-9-3-1-7(12)2-4-9/h1-5H,6H2,(H,13,14).
What are the key properties of 2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole?
2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole has a molecular weight of 287.54 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole is sourced from PubChem (CID 117191551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).