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

C15H19ClN2O2 — CID 12761767

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride
SMILESCCCn1ccnc1CC1COc2ccccc2O1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-2-8-17-9-7-16-15(17)10-12-11-18-13-5-3-4-6-14(13)19-12;/h3-7,9,12H,2,8,10-11H2,1H3;1H
InChIKeyLGDUHPLLBQUNJM-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.10
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride (PubChem CID 12761767) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride
PubChem CID12761767
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride
SMILESCCCn1ccnc1CC1COc2ccccc2O1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-2-8-17-9-7-16-15(17)10-12-11-18-13-5-3-4-6-14(13)19-12;/h3-7,9,12H,2,8,10-11H2,1H3;1H
InChIKeyLGDUHPLLBQUNJM-UHFFFAOYSA-N
XLogP3.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride (CID 12761767) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride is CCCn1ccnc1CC1COc2ccccc2O1.Cl.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride?
The InChIKey is LGDUHPLLBQUNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-2-8-17-9-7-16-15(17)10-12-11-18-13-5-3-4-6-14(13)19-12;/h3-7,9,12H,2,8,10-11H2,1H3;1H.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 3.10, 4 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-propylimidazole;hydrochloride is sourced from PubChem (CID 12761767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).