4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole

C11H10BrClN2 — CID 130482614

IUPAC4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole
SMILESCc1ccc(-n2cnc(CBr)c2)c(Cl)c1
InChIInChI=1S/C11H10BrClN2/c1-8-2-3-11(10(13)4-8)15-6-9(5-12)14-7-15/h2-4,6-7H,5H2,1H3
InChIKeyGODAFOXXKJUXDY-UHFFFAOYSA-N
MW285.57 g/mol
LogP3.73
Rot. Bonds2

About 4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole

4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole (PubChem CID 130482614) has the molecular formula C11H10BrClN2 and a molecular weight of 285.57 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole
PubChem CID130482614
Molecular FormulaC11H10BrClN2
Molecular Weight285.57 g/mol
Exact Mass283.97
IUPAC Name4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole
SMILESCc1ccc(-n2cnc(CBr)c2)c(Cl)c1
InChIInChI=1S/C11H10BrClN2/c1-8-2-3-11(10(13)4-8)15-6-9(5-12)14-7-15/h2-4,6-7H,5H2,1H3
InChIKeyGODAFOXXKJUXDY-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 53.73
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
N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine
CID 114203932
4-(bromomethyl)-1-(3-chlorophenyl)imidazole
CID 130482648
4-(bromomethyl)-1-(2-fluorophenyl)imidazole
CID 130482556
1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole
CID 130482355
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 82472942
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995
5-methyl-2-(4-methylimidazol-1-yl)phenol
CID 143857824
2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol
CID 59127390
4-(2-bromoethyl)-1-(2-chloro-5-methylphenyl)triazole
CID 107627384
[1-(3-chloro-4-methylphenyl)imidazol-4-yl]methanamine
CID 82472948

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole?
The IUPAC name of 4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole (CID 130482614) is 4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole.
What is the SMILES notation for 4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole?
The canonical SMILES for 4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole is Cc1ccc(-n2cnc(CBr)c2)c(Cl)c1.
What is the InChIKey of 4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole?
The InChIKey is GODAFOXXKJUXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2/c1-8-2-3-11(10(13)4-8)15-6-9(5-12)14-7-15/h2-4,6-7H,5H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole?
4-(bromomethyl)-1-(2-chloro-4-methylphenyl)imidazole has a molecular weight of 285.57 g/mol, XLogP of 3.73, 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-chloro-4-methylphenyl)imidazole is sourced from PubChem (CID 130482614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).