2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole

C14H17ClN2O — CID 116878196

IUPAC2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
SMILESCCc1ccc(OC)c(-c2cnc(CCCl)[nH]2)c1
InChIInChI=1S/C14H17ClN2O/c1-3-10-4-5-13(18-2)11(8-10)12-9-16-14(17-12)6-7-15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyYOFZVDSALIFPSE-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.43
Rot. Bonds5

About 2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole

2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole (PubChem CID 116878196) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
PubChem CID116878196
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
SMILESCCc1ccc(OC)c(-c2cnc(CCCl)[nH]2)c1
InChIInChI=1S/C14H17ClN2O/c1-3-10-4-5-13(18-2)11(8-10)12-9-16-14(17-12)6-7-15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyYOFZVDSALIFPSE-UHFFFAOYSA-N
XLogP3.43
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880798
2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
CID 116878237
2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876649
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole
CID 116878216
[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879145
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878261
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole (CID 116878196) is 2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole is CCc1ccc(OC)c(-c2cnc(CCCl)[nH]2)c1.
What is the InChIKey of 2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole?
The InChIKey is YOFZVDSALIFPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-10-4-5-13(18-2)11(8-10)12-9-16-14(17-12)6-7-15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole?
2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole has a molecular weight of 264.76 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 116878196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).