4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride

C12H14Cl2N2O — CID 22412365

IUPAC4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
SMILESCOc1ccc(-c2nc(CCl)c(C)[nH]2)cc1.Cl
InChIInChI=1S/C12H13ClN2O.ClH/c1-8-11(7-13)15-12(14-8)9-3-5-10(16-2)6-4-9;/h3-6H,7H2,1-2H3,(H,14,15);1H
InChIKeyCFXSWVYFJOUALP-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.55
Rot. Bonds3

About 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride

4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride (PubChem CID 22412365) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
PubChem CID22412365
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
SMILESCOc1ccc(-c2nc(CCl)c(C)[nH]2)cc1.Cl
InChIInChI=1S/C12H13ClN2O.ClH/c1-8-11(7-13)15-12(14-8)9-3-5-10(16-2)6-4-9;/h3-6H,7H2,1-2H3,(H,14,15);1H
InChIKeyCFXSWVYFJOUALP-UHFFFAOYSA-N
XLogP3.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.55
H-Bond Donors ≤ 51
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-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride?
The IUPAC name of 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride (CID 22412365) is 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride is COc1ccc(-c2nc(CCl)c(C)[nH]2)cc1.Cl.
What is the InChIKey of 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride?
The InChIKey is CFXSWVYFJOUALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O.ClH/c1-8-11(7-13)15-12(14-8)9-3-5-10(16-2)6-4-9;/h3-6H,7H2,1-2H3,(H,14,15);1H.
What are the key properties of 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride?
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride has a molecular weight of 273.16 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 22412365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).