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

C19H19ClN2O2 — CID 12761772

IUPAC1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride
SMILESCl.c1ccc(Cn2ccnc2CC2COc3ccccc3O2)cc1
InChIInChI=1S/C19H18N2O2.ClH/c1-2-6-15(7-3-1)13-21-11-10-20-19(21)12-16-14-22-17-8-4-5-9-18(17)23-16;/h1-11,16H,12-14H2;1H
InChIKeyMWGGOVBEJGYHRD-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.74
Rot. Bonds4

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

1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride (PubChem CID 12761772) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride
PubChem CID12761772
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride
SMILESCl.c1ccc(Cn2ccnc2CC2COc3ccccc3O2)cc1
InChIInChI=1S/C19H18N2O2.ClH/c1-2-6-15(7-3-1)13-21-11-10-20-19(21)12-16-14-22-17-8-4-5-9-18(17)23-16;/h1-11,16H,12-14H2;1H
InChIKeyMWGGOVBEJGYHRD-UHFFFAOYSA-N
XLogP3.74
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imiloxan
CID 133621
Imiloxan hydrochloride
CID 172975
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
1-[2-[4-Methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
CID 4564402
4-Imidazol-1-ylmethyl-2-(2-methoxy-phenoxy)-benzonitrile
CID 21697133
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylimidazole;hydrochloride
CID 12761761
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride
CID 12761767
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole
CID 12761768
1-Butyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride
CID 12761770
1-[(2,6-Dichlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole
CID 12761773
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3-methoxyphenyl)methyl]imidazole;hydrochloride
CID 12761776
1-[benzyl(methyl)amino]-3-[4-({[(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)phenoxy]propan-2-ol
CID 16187560

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride?
The IUPAC name of 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride (CID 12761772) is 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride.
What is the SMILES notation for 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride?
The canonical SMILES for 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride is Cl.c1ccc(Cn2ccnc2CC2COc3ccccc3O2)cc1.
What is the InChIKey of 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride?
The InChIKey is MWGGOVBEJGYHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.ClH/c1-2-6-15(7-3-1)13-21-11-10-20-19(21)12-16-14-22-17-8-4-5-9-18(17)23-16;/h1-11,16H,12-14H2;1H.
What are the key properties of 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride?
1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride is sourced from PubChem (CID 12761772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).