2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole

C14H17ClN2O — CID 116878216

IUPAC2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole
SMILESCOc1cc(C)cc(C)c1-c1cnc(CCCl)[nH]1
InChIInChI=1S/C14H17ClN2O/c1-9-6-10(2)14(12(7-9)18-3)11-8-16-13(17-11)4-5-15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyKLPQNBWZDHJWLI-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.48
Rot. Bonds4

About 2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole

2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole (PubChem CID 116878216) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole
PubChem CID116878216
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole
SMILESCOc1cc(C)cc(C)c1-c1cnc(CCCl)[nH]1
InChIInChI=1S/C14H17ClN2O/c1-9-6-10(2)14(12(7-9)18-3)11-8-16-13(17-11)4-5-15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyKLPQNBWZDHJWLI-UHFFFAOYSA-N
XLogP3.48
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.48
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

2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116878624
2-amino-2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881587
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883164
2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
CID 116878237
2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
CID 116878196
methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
CID 116880265
1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880786
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
[5-(2,4-dimethoxy-6-methylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884179
6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106683063
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole?
The IUPAC name of 2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole (CID 116878216) is 2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole is COc1cc(C)cc(C)c1-c1cnc(CCCl)[nH]1.
What is the InChIKey of 2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole?
The InChIKey is KLPQNBWZDHJWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-6-10(2)14(12(7-9)18-3)11-8-16-13(17-11)4-5-15/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole?
2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole has a molecular weight of 264.76 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole is sourced from PubChem (CID 116878216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).