1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride

C15H19ClN2O2 — CID 25143347

IUPAC1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
SMILESCl.c1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
InChIInChI=1S/C15H18N2O2.ClH/c1-2-4-14(5-3-1)6-7-15(18-10-11-19-15)12-17-9-8-16-13-17;/h1-5,8-9,13H,6-7,10-12H2;1H
InChIKeyDOYYIADXMQEUOW-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.68
Rot. Bonds5

About 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride

1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride (PubChem CID 25143347) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
PubChem CID25143347
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
SMILESCl.c1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
InChIInChI=1S/C15H18N2O2.ClH/c1-2-4-14(5-3-1)6-7-15(18-10-11-19-15)12-17-9-8-16-13-17;/h1-5,8-9,13H,6-7,10-12H2;1H
InChIKeyDOYYIADXMQEUOW-UHFFFAOYSA-N
XLogP2.68
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
The IUPAC name of 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride (CID 25143347) is 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
The canonical SMILES for 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride is Cl.c1ccc(CCC2(Cn3ccnc3)OCCO2)cc1.
What is the InChIKey of 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
The InChIKey is DOYYIADXMQEUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-2-4-14(5-3-1)6-7-15(18-10-11-19-15)12-17-9-8-16-13-17;/h1-5,8-9,13H,6-7,10-12H2;1H.
What are the key properties of 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride is sourced from PubChem (CID 25143347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).