4-[(2-chlorophenoxy)methyl]-1-methylimidazole

C11H11ClN2O — CID 117191456

IUPAC4-[(2-chlorophenoxy)methyl]-1-methylimidazole
SMILESCn1cnc(COc2ccccc2Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-14-6-9(13-8-14)7-15-11-5-3-2-4-10(11)12/h2-6,8H,7H2,1H3
InChIKeyBECACZLVCMYYRW-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.65
Rot. Bonds3

About 4-[(2-chlorophenoxy)methyl]-1-methylimidazole

4-[(2-chlorophenoxy)methyl]-1-methylimidazole (PubChem CID 117191456) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-1-methylimidazole
PubChem CID117191456
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-[(2-chlorophenoxy)methyl]-1-methylimidazole
SMILESCn1cnc(COc2ccccc2Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-14-6-9(13-8-14)7-15-11-5-3-2-4-10(11)12/h2-6,8H,7H2,1H3
InChIKeyBECACZLVCMYYRW-UHFFFAOYSA-N
XLogP2.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170
4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 167942848
[5-[(2-chlorophenoxy)methyl]-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481637
4-[(2-chlorophenoxy)methyl]-1-phenyltriazole
CID 3065713
[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine
CID 82207921
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866452
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
3-[(2-chlorophenoxy)methyl]-1-methylindole
CID 117171277
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742
2-[(2-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187272
2-[5-[(2-chlorophenoxy)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667157
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-1-methylimidazole?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-1-methylimidazole (CID 117191456) is 4-[(2-chlorophenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-1-methylimidazole is Cn1cnc(COc2ccccc2Cl)c1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-1-methylimidazole?
The InChIKey is BECACZLVCMYYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14-6-9(13-8-14)7-15-11-5-3-2-4-10(11)12/h2-6,8H,7H2,1H3.
What are the key properties of 4-[(2-chlorophenoxy)methyl]-1-methylimidazole?
4-[(2-chlorophenoxy)methyl]-1-methylimidazole has a molecular weight of 222.68 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 117191456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).