1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole

C11H9BrClFN2 — CID 62222379

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole
SMILESFc1ccc(Br)cc1Cn1ccnc1CCl
InChIInChI=1S/C11H9BrClFN2/c12-9-1-2-10(14)8(5-9)7-16-4-3-15-11(16)6-13/h1-5H,6-7H2
InChIKeyAYCSAKSTDHLMAG-UHFFFAOYSA-N
MW303.56 g/mol
LogP3.57
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole

1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole (PubChem CID 62222379) has the molecular formula C11H9BrClFN2 and a molecular weight of 303.56 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole
PubChem CID62222379
Molecular FormulaC11H9BrClFN2
Molecular Weight303.56 g/mol
Exact Mass301.96
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole
SMILESFc1ccc(Br)cc1Cn1ccnc1CCl
InChIInChI=1S/C11H9BrClFN2/c12-9-1-2-10(14)8(5-9)7-16-4-3-15-11(16)6-13/h1-5H,6-7H2
InChIKeyAYCSAKSTDHLMAG-UHFFFAOYSA-N
XLogP3.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.56
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222710
5-bromo-2-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801414
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
CID 105405211
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)imidazole
CID 113403434
1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
CID 115769752
2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
CID 82561855
3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801413
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66415838
5-bromo-2-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]benzimidazole
CID 63795004

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole (CID 62222379) is 1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole is Fc1ccc(Br)cc1Cn1ccnc1CCl.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole?
The InChIKey is AYCSAKSTDHLMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN2/c12-9-1-2-10(14)8(5-9)7-16-4-3-15-11(16)6-13/h1-5H,6-7H2.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole?
1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole has a molecular weight of 303.56 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole is sourced from PubChem (CID 62222379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).