2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole

C12H12Cl2N2O2 — CID 55177668

IUPAC2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole
SMILESCOc1cc(-c2ncc(CCl)[nH]2)cc(Cl)c1OC
InChIInChI=1S/C12H12Cl2N2O2/c1-17-10-4-7(3-9(14)11(10)18-2)12-15-6-8(5-13)16-12/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyXCQXPJJNZASYPG-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.49
Rot. Bonds4

About 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole

2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole (PubChem CID 55177668) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole
PubChem CID55177668
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole
SMILESCOc1cc(-c2ncc(CCl)[nH]2)cc(Cl)c1OC
InChIInChI=1S/C12H12Cl2N2O2/c1-17-10-4-7(3-9(14)11(10)18-2)12-15-6-8(5-13)16-12/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyXCQXPJJNZASYPG-UHFFFAOYSA-N
XLogP3.49
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole with MolForge

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

Launch Full Analysis

Related Compounds

[2-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]methanol
CID 65022073
2-(3,4,5-trimethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 95468133
2-(3,4,5-trimethoxyphenyl)-5-(2,4,4-trimethylpentan-2-yl)-1H-imidazole
CID 90820484
2-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]acetonitrile
CID 82386420
2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511912
[2-(4-methoxy-3-methylphenyl)-1H-imidazol-5-yl]methanol
CID 63108344
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83953290
5-(chloromethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine
CID 18674993
5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 57361979
8-(3,4,5-trimethoxyphenyl)-7H-purine
CID 114402745
(1R)-1-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915243
3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201271

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole?
The IUPAC name of 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole (CID 55177668) is 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole.
What is the SMILES notation for 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole?
The canonical SMILES for 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole is COc1cc(-c2ncc(CCl)[nH]2)cc(Cl)c1OC.
What is the InChIKey of 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole?
The InChIKey is XCQXPJJNZASYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-17-10-4-7(3-9(14)11(10)18-2)12-15-6-8(5-13)16-12/h3-4,6H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole?
2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole has a molecular weight of 287.15 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1H-imidazole is sourced from PubChem (CID 55177668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).