2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole

C13H15ClN2O — CID 114528413

IUPAC2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
SMILESCn1ccnc1CCOc1ccccc1CCl
InChIInChI=1S/C13H15ClN2O/c1-16-8-7-15-13(16)6-9-17-12-5-3-2-4-11(12)10-14/h2-5,7-8H,6,9-10H2,1H3
InChIKeyPLVZEGBAVJNCHJ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.78
Rot. Bonds5

About 2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole

2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole (PubChem CID 114528413) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
PubChem CID114528413
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
SMILESCn1ccnc1CCOc1ccccc1CCl
InChIInChI=1S/C13H15ClN2O/c1-16-8-7-15-13(16)6-9-17-12-5-3-2-4-11(12)10-14/h2-5,7-8H,6,9-10H2,1H3
InChIKeyPLVZEGBAVJNCHJ-UHFFFAOYSA-N
XLogP2.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
CID 114527999
potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
CID 114528509
1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
CID 114527954
[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338
2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 114530890
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114530828
2-[2-[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528471
(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
CID 114528141
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole (CID 114528413) is 2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole is Cn1ccnc1CCOc1ccccc1CCl.
What is the InChIKey of 2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole?
The InChIKey is PLVZEGBAVJNCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-16-8-7-15-13(16)6-9-17-12-5-3-2-4-11(12)10-14/h2-5,7-8H,6,9-10H2,1H3.
What are the key properties of 2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole?
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole has a molecular weight of 250.73 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole is sourced from PubChem (CID 114528413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).