4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole

C10H7BrCl2N2 — CID 130482663

IUPAC4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole
SMILESClc1ccc(-n2cnc(CBr)c2)c(Cl)c1
InChIInChI=1S/C10H7BrCl2N2/c11-4-8-5-15(6-14-8)10-2-1-7(12)3-9(10)13/h1-3,5-6H,4H2
InChIKeyCABLAMSIENHZDJ-UHFFFAOYSA-N
MW305.99 g/mol
LogP4.07
Rot. Bonds2

About 4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole

4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole (PubChem CID 130482663) has the molecular formula C10H7BrCl2N2 and a molecular weight of 305.99 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole
PubChem CID130482663
Molecular FormulaC10H7BrCl2N2
Molecular Weight305.99 g/mol
Exact Mass303.92
IUPAC Name4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole
SMILESClc1ccc(-n2cnc(CBr)c2)c(Cl)c1
InChIInChI=1S/C10H7BrCl2N2/c11-4-8-5-15(6-14-8)10-2-1-7(12)3-9(10)13/h1-3,5-6H,4H2
InChIKeyCABLAMSIENHZDJ-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole?
The IUPAC name of 4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole (CID 130482663) is 4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole.
What is the SMILES notation for 4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole?
The canonical SMILES for 4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole is Clc1ccc(-n2cnc(CBr)c2)c(Cl)c1.
What is the InChIKey of 4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole?
The InChIKey is CABLAMSIENHZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2/c11-4-8-5-15(6-14-8)10-2-1-7(12)3-9(10)13/h1-3,5-6H,4H2.
What are the key properties of 4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole?
4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole has a molecular weight of 305.99 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole is sourced from PubChem (CID 130482663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).