4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole

C11H9Br2ClN2O — CID 25215098

IUPAC4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole
SMILESClc1nc(Br)c(Br)n1COCc1ccccc1
InChIInChI=1S/C11H9Br2ClN2O/c12-9-10(13)16(11(14)15-9)7-17-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyYRKKZMRDZFGHMJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.24
Rot. Bonds4

About 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole

4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole (PubChem CID 25215098) has the molecular formula C11H9Br2ClN2O and a molecular weight of 380.47 g/mol. Its IUPAC name is 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole.

Molecular Properties

Compound Name4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole
PubChem CID25215098
Molecular FormulaC11H9Br2ClN2O
Molecular Weight380.47 g/mol
Exact Mass377.88
IUPAC Name4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole
SMILESClc1nc(Br)c(Br)n1COCc1ccccc1
InChIInChI=1S/C11H9Br2ClN2O/c12-9-10(13)16(11(14)15-9)7-17-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyYRKKZMRDZFGHMJ-UHFFFAOYSA-N
XLogP4.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole?
The IUPAC name of 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole (CID 25215098) is 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole.
What is the SMILES notation for 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole?
The canonical SMILES for 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole is Clc1nc(Br)c(Br)n1COCc1ccccc1.
What is the InChIKey of 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole?
The InChIKey is YRKKZMRDZFGHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2ClN2O/c12-9-10(13)16(11(14)15-9)7-17-6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole?
4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole has a molecular weight of 380.47 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole is sourced from PubChem (CID 25215098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).