2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole

C14H16BrClN2O2 — CID 114528422

IUPAC2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole
SMILESCOc1cc(CBr)cc(Cl)c1OCCc1nccn1C
InChIInChI=1S/C14H16BrClN2O2/c1-18-5-4-17-13(18)3-6-20-14-11(16)7-10(9-15)8-12(14)19-2/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyVENIOGSLZMPHBU-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.60
Rot. Bonds6

About 2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole

2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole (PubChem CID 114528422) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole
PubChem CID114528422
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole
SMILESCOc1cc(CBr)cc(Cl)c1OCCc1nccn1C
InChIInChI=1S/C14H16BrClN2O2/c1-18-5-4-17-13(18)3-6-20-14-11(16)7-10(9-15)8-12(14)19-2/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyVENIOGSLZMPHBU-UHFFFAOYSA-N
XLogP3.60
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528334
2-[2-[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528447
[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114527174
2-[2-[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528471
5-(bromomethyl)-1-chloro-3-methoxy-2-octoxybenzene
CID 43324494
5-(bromomethyl)-1-chloro-2-hexoxy-3-methoxybenzene
CID 43324495
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
1-(3-chloro-4,5-dimethoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530018
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114526998

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole (CID 114528422) is 2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole is COc1cc(CBr)cc(Cl)c1OCCc1nccn1C.
What is the InChIKey of 2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole?
The InChIKey is VENIOGSLZMPHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-18-5-4-17-13(18)3-6-20-14-11(16)7-10(9-15)8-12(14)19-2/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole?
2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole has a molecular weight of 359.65 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]ethyl]-1-methylimidazole is sourced from PubChem (CID 114528422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).