2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole

C12H11ClN2O — CID 56723242

IUPAC2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole
SMILESC=CCOc1ccc(Cl)cc1-c1ncc[nH]1
InChIInChI=1S/C12H11ClN2O/c1-2-7-16-11-4-3-9(13)8-10(11)12-14-5-6-15-12/h2-6,8H,1,7H2,(H,14,15)
InChIKeyLUJJYAFUWPXTOI-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.29
Rot. Bonds4

About 2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole

2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole (PubChem CID 56723242) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole
PubChem CID56723242
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole
SMILESC=CCOc1ccc(Cl)cc1-c1ncc[nH]1
InChIInChI=1S/C12H11ClN2O/c1-2-7-16-11-4-3-9(13)8-10(11)12-14-5-6-15-12/h2-6,8H,1,7H2,(H,14,15)
InChIKeyLUJJYAFUWPXTOI-UHFFFAOYSA-N
XLogP3.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
4-chloro-2-(1H-imidazol-2-yl)aniline
CID 55254071
2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole
CID 69257218
2-[4-chloro-2-(2-chlorophenyl)phenyl]-1H-imidazole
CID 91346378
4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid
CID 138543159
6-(2,4-dichlorophenyl)-3-(1H-imidazol-2-yl)-1H-pyridin-2-one
CID 91546639
4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
CID 59788248
2,4-diamino-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-5-carbonitrile
CID 169397431
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
(1S)-1-(5-chloro-2-prop-2-enoxyphenyl)ethanamine
CID 78933106
2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene
CID 69117199
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole (CID 56723242) is 2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole is C=CCOc1ccc(Cl)cc1-c1ncc[nH]1.
What is the InChIKey of 2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole?
The InChIKey is LUJJYAFUWPXTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-2-7-16-11-4-3-9(13)8-10(11)12-14-5-6-15-12/h2-6,8H,1,7H2,(H,14,15).
What are the key properties of 2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole?
2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole has a molecular weight of 234.69 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole is sourced from PubChem (CID 56723242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).