2-(3-chloro-4-methoxyphenyl)-1-methylimidazole

C11H11ClN2O — CID 146601290

IUPAC2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
SMILESCOc1ccc(-c2nccn2C)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-14-6-5-13-11(14)8-3-4-10(15-2)9(12)7-8/h3-7H,1-2H3
InChIKeyZRGAOFWWPJRRIQ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.75
Rot. Bonds2

About 2-(3-chloro-4-methoxyphenyl)-1-methylimidazole

2-(3-chloro-4-methoxyphenyl)-1-methylimidazole (PubChem CID 146601290) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
PubChem CID146601290
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
SMILESCOc1ccc(-c2nccn2C)cc1Cl
InChIInChI=1S/C11H11ClN2O/c1-14-6-5-13-11(14)8-3-4-10(15-2)9(12)7-8/h3-7H,1-2H3
InChIKeyZRGAOFWWPJRRIQ-UHFFFAOYSA-N
XLogP2.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-methylimidazole?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-methylimidazole (CID 146601290) is 2-(3-chloro-4-methoxyphenyl)-1-methylimidazole.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-methylimidazole?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-methylimidazole is COc1ccc(-c2nccn2C)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-methylimidazole?
The InChIKey is ZRGAOFWWPJRRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14-6-5-13-11(14)8-3-4-10(15-2)9(12)7-8/h3-7H,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-methylimidazole?
2-(3-chloro-4-methoxyphenyl)-1-methylimidazole has a molecular weight of 222.68 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-methylimidazole is sourced from PubChem (CID 146601290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).