1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole

C14H15ClN2O — CID 2993147

IUPAC1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole
SMILESC=CCc1cccc(Cl)c1OCCn1ccnc1
InChIInChI=1S/C14H15ClN2O/c1-2-4-12-5-3-6-13(15)14(12)18-10-9-17-8-7-16-11-17/h2-3,5-8,11H,1,4,9-10H2
InChIKeyHMPAGRQDZJZFRB-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.34
Rot. Bonds6

About 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole

1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole (PubChem CID 2993147) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole
PubChem CID2993147
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole
SMILESC=CCc1cccc(Cl)c1OCCn1ccnc1
InChIInChI=1S/C14H15ClN2O/c1-2-4-12-5-3-6-13(15)14(12)18-10-9-17-8-7-16-11-17/h2-3,5-8,11H,1,4,9-10H2
InChIKeyHMPAGRQDZJZFRB-UHFFFAOYSA-N
XLogP3.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol
CID 112612886
N-[[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 115952959
oxalic acid;1-[4-(2-prop-2-enylphenoxy)butyl]imidazole
CID 2923042
[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol
CID 114320427
1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551586
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid
CID 2944629
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
1-(2-prop-2-enoxyethyl)imidazole
CID 141049243
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319341
4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium
CID 7379875
[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]methanamine
CID 112608034

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole (CID 2993147) is 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole is C=CCc1cccc(Cl)c1OCCn1ccnc1.
What is the InChIKey of 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole?
The InChIKey is HMPAGRQDZJZFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-4-12-5-3-6-13(15)14(12)18-10-9-17-8-7-16-11-17/h2-3,5-8,11H,1,4,9-10H2.
What are the key properties of 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole?
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole has a molecular weight of 262.74 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole is sourced from PubChem (CID 2993147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).