5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride

C14H19ClN2O — CID 3061234

IUPAC5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride
SMILESCCOC(c1cnc[nH]1)c1c(C)cccc1C.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-4-17-14(12-8-15-9-16-12)13-10(2)6-5-7-11(13)3;/h5-9,14H,4H2,1-3H3,(H,15,16);1H
InChIKeyNQLYMQWYRDBWTQ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.57
Rot. Bonds4

About 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride

5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride (PubChem CID 3061234) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride
PubChem CID3061234
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride
SMILESCCOC(c1cnc[nH]1)c1c(C)cccc1C.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-4-17-14(12-8-15-9-16-12)13-10(2)6-5-7-11(13)3;/h5-9,14H,4H2,1-3H3,(H,15,16);1H
InChIKeyNQLYMQWYRDBWTQ-UHFFFAOYSA-N
XLogP3.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride (CID 3061234) is 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride is CCOC(c1cnc[nH]1)c1c(C)cccc1C.Cl.
What is the InChIKey of 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride?
The InChIKey is NQLYMQWYRDBWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-4-17-14(12-8-15-9-16-12)13-10(2)6-5-7-11(13)3;/h5-9,14H,4H2,1-3H3,(H,15,16);1H.
What are the key properties of 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride?
5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 3061234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).