4-(bromomethyl)-1-(2-fluorophenyl)imidazole

C10H8BrFN2 — CID 130482556

IUPAC4-(bromomethyl)-1-(2-fluorophenyl)imidazole
SMILESFc1ccccc1-n1cnc(CBr)c1
InChIInChI=1S/C10H8BrFN2/c11-5-8-6-14(7-13-8)10-4-2-1-3-9(10)12/h1-4,6-7H,5H2
InChIKeyXMAHBSHEJYQHLQ-UHFFFAOYSA-N
MW255.09 g/mol
LogP2.91
Rot. Bonds2

About 4-(bromomethyl)-1-(2-fluorophenyl)imidazole

4-(bromomethyl)-1-(2-fluorophenyl)imidazole (PubChem CID 130482556) has the molecular formula C10H8BrFN2 and a molecular weight of 255.09 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2-fluorophenyl)imidazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2-fluorophenyl)imidazole
PubChem CID130482556
Molecular FormulaC10H8BrFN2
Molecular Weight255.09 g/mol
Exact Mass253.99
IUPAC Name4-(bromomethyl)-1-(2-fluorophenyl)imidazole
SMILESFc1ccccc1-n1cnc(CBr)c1
InChIInChI=1S/C10H8BrFN2/c11-5-8-6-14(7-13-8)10-4-2-1-3-9(10)12/h1-4,6-7H,5H2
InChIKeyXMAHBSHEJYQHLQ-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 52.91
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

[1-(2-fluorophenyl)imidazol-4-yl]methanamine
CID 82468834
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
1-(2-fluorophenyl)-4-(trifluoromethyl)imidazole
CID 154447473
4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole
CID 130482663
2-[1-(2-fluorophenyl)imidazol-4-yl]propan-1-amine
CID 83888814
2-amino-2-[1-(2-fluorophenyl)imidazol-4-yl]ethanol
CID 83889906
4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole
CID 130482614
[1-(2,5-difluorophenyl)imidazol-4-yl]methanamine
CID 82507740
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 82472942
ethyl 1-(2-fluorophenyl)imidazole-4-carboxylate
CID 154325147
4-(bromomethyl)-1-(3-chlorophenyl)imidazole
CID 130482648
4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole
CID 130482631

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2-fluorophenyl)imidazole?
The IUPAC name of 4-(bromomethyl)-1-(2-fluorophenyl)imidazole (CID 130482556) is 4-(bromomethyl)-1-(2-fluorophenyl)imidazole.
What is the SMILES notation for 4-(bromomethyl)-1-(2-fluorophenyl)imidazole?
The canonical SMILES for 4-(bromomethyl)-1-(2-fluorophenyl)imidazole is Fc1ccccc1-n1cnc(CBr)c1.
What is the InChIKey of 4-(bromomethyl)-1-(2-fluorophenyl)imidazole?
The InChIKey is XMAHBSHEJYQHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2/c11-5-8-6-14(7-13-8)10-4-2-1-3-9(10)12/h1-4,6-7H,5H2.
What are the key properties of 4-(bromomethyl)-1-(2-fluorophenyl)imidazole?
4-(bromomethyl)-1-(2-fluorophenyl)imidazole has a molecular weight of 255.09 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2-fluorophenyl)imidazole is sourced from PubChem (CID 130482556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).