1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole

C12H13ClN2O — CID 1111665

IUPAC1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole
SMILESCc1nccn1CCOc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-10-14-6-7-15(10)8-9-16-12-5-3-2-4-11(12)13/h2-7H,8-9H2,1H3
InChIKeyBUVZXFVFBAWNPN-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.92
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole

1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole (PubChem CID 1111665) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole
PubChem CID1111665
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole
SMILESCc1nccn1CCOc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-10-14-6-7-15(10)8-9-16-12-5-3-2-4-11(12)13/h2-7H,8-9H2,1H3
InChIKeyBUVZXFVFBAWNPN-UHFFFAOYSA-N
XLogP2.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole 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

Prochloraz
CID 73665
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[3-(2-chlorophenoxy)propyl]-1H-imidazole
CID 2843672
Cambridge id 6865961
CID 2804749
1-[6-(2-Chloro-4-methyxyphenoxy)-hexyl]-imidazole
CID 1360
4,5-Dichloro-2-methyl-1-(2-phenoxyethyl)imidazole
CID 1872879
1-[2-(4-chlorophenoxy)ethyl]-2-methyl-1H-imidazole oxalate
CID 2935814
1-(2,4-Dichloro-phenoxy)-3-(2-methyl-imidazol-1-yl)-propan-2-ol
CID 3152396
4,5-Dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole
CID 1962620
1-(3-Phenoxypropyl)-1H-imidazole
CID 2841183

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole (CID 1111665) is 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole is Cc1nccn1CCOc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole?
The InChIKey is BUVZXFVFBAWNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-10-14-6-7-15(10)8-9-16-12-5-3-2-4-11(12)13/h2-7H,8-9H2,1H3.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole?
1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole has a molecular weight of 236.70 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-2-methylimidazole is sourced from PubChem (CID 1111665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).