2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride

C12H15ClN2O — CID 45262571

IUPAC2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCC1c2ccccc2OC1C1=NCCN1.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-8-9-4-2-3-5-10(9)15-11(8)12-13-6-7-14-12;/h2-5,8,11H,6-7H2,1H3,(H,13,14);1H
InChIKeyOBRVEDLVGZMZOI-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.97
Rot. Bonds1

About 2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 45262571) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID45262571
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCC1c2ccccc2OC1C1=NCCN1.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-8-9-4-2-3-5-10(9)15-11(8)12-13-6-7-14-12;/h2-5,8,11H,6-7H2,1H3,(H,13,14);1H
InChIKeyOBRVEDLVGZMZOI-UHFFFAOYSA-N
XLogP1.97
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 45262571) is 2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride is CC1c2ccccc2OC1C1=NCCN1.Cl.
What is the InChIKey of 2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is OBRVEDLVGZMZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c1-8-9-4-2-3-5-10(9)15-11(8)12-13-6-7-14-12;/h2-5,8,11H,6-7H2,1H3,(H,13,14);1H.
What are the key properties of 2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 45262571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).