1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole

C10H7BrCl2N2 — CID 130482355

IUPAC1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole
SMILESClCc1cn(-c2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C10H7BrCl2N2/c11-9-3-7(13)1-2-10(9)15-5-8(4-12)14-6-15/h1-3,5-6H,4H2
InChIKeyLZXDXXPQPZLQRL-UHFFFAOYSA-N
MW305.99 g/mol
LogP4.03
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole

1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole (PubChem CID 130482355) has the molecular formula C10H7BrCl2N2 and a molecular weight of 305.99 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole
PubChem CID130482355
Molecular FormulaC10H7BrCl2N2
Molecular Weight305.99 g/mol
Exact Mass303.92
IUPAC Name1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole
SMILESClCc1cn(-c2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C10H7BrCl2N2/c11-9-3-7(13)1-2-10(9)15-5-8(4-12)14-6-15/h1-3,5-6H,4H2
InChIKeyLZXDXXPQPZLQRL-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.99
LogP ≤ 54.03
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

4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole
CID 130482663
4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole
CID 130482269
4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole
CID 130482631
[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine
CID 114706823
4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole
CID 130482614
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 82472942
[1-(2,5-difluorophenyl)imidazol-4-yl]methanamine
CID 82507740
4-(bromomethyl)-1-(3-chlorophenyl)imidazole
CID 130482648
N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine
CID 114203932
1-(4-chloro-2-ethylphenyl)-4-methylimidazole
CID 146396670
3-[4-(chloromethyl)imidazol-1-yl]-1,5-dimethylpyrazole
CID 130497189
1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 160655070

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole (CID 130482355) is 1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole is ClCc1cn(-c2ccc(Cl)cc2Br)cn1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole?
The InChIKey is LZXDXXPQPZLQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2/c11-9-3-7(13)1-2-10(9)15-5-8(4-12)14-6-15/h1-3,5-6H,4H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole?
1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole has a molecular weight of 305.99 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole is sourced from PubChem (CID 130482355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).