2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride

C13H15ClN2O2 — CID 12761761

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride
SMILESCl.Cn1ccnc1CC1COc2ccccc2O1
InChIInChI=1S/C13H14N2O2.ClH/c1-15-7-6-14-13(15)8-10-9-16-11-4-2-3-5-12(11)17-10;/h2-7,10H,8-9H2,1H3;1H
InChIKeyOYYWVESYZGPYIA-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.22
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride (PubChem CID 12761761) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride
PubChem CID12761761
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride
SMILESCl.Cn1ccnc1CC1COc2ccccc2O1
InChIInChI=1S/C13H14N2O2.ClH/c1-15-7-6-14-13(15)8-10-9-16-11-4-2-3-5-12(11)17-10;/h2-7,10H,8-9H2,1H3;1H
InChIKeyOYYWVESYZGPYIA-UHFFFAOYSA-N
XLogP2.22
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imiloxan
CID 133621
Imiloxan hydrochloride
CID 172975
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-[3-(2-fluorophenoxy)propyl]-1H-imidazole
CID 2843524
1-[3-(4-methoxyphenoxy)propyl]-1H-imidazole
CID 24761416
1-[4-(4-Iodophenoxy)butyl]-1H-imidazole
CID 2843440
2-(1,4-Benzodioxan-2-ylmethyl)imidazole hydrochloride
CID 12761757
1-Benzyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole hydrochloride
CID 12761772
1-(3-Phenoxypropyl)-1H-imidazole
CID 2841183
1-[4-(4-ethoxyphenoxy)butyl]-1H-imidazole
CID 2923316

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride (CID 12761761) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride is Cl.Cn1ccnc1CC1COc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride?
The InChIKey is OYYWVESYZGPYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.ClH/c1-15-7-6-14-13(15)8-10-9-16-11-4-2-3-5-12(11)17-10;/h2-7,10H,8-9H2,1H3;1H.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride is sourced from PubChem (CID 12761761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).