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

C17H17ClN2O2 — CID 12698936

IUPAC1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride
SMILESCl.c1ccc2c(C3(Cn4ccnc4)OCCO3)cccc2c1
InChIInChI=1S/C17H16N2O2.ClH/c1-2-6-15-14(4-1)5-3-7-16(15)17(20-10-11-21-17)12-19-9-8-18-13-19;/h1-9,13H,10-12H2;1H
InChIKeyCPOSWSDBEXZYPN-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.36
Rot. Bonds3

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

1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride (PubChem CID 12698936) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride
PubChem CID12698936
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride
SMILESCl.c1ccc2c(C3(Cn4ccnc4)OCCO3)cccc2c1
InChIInChI=1S/C17H16N2O2.ClH/c1-2-6-15-14(4-1)5-3-7-16(15)17(20-10-11-21-17)12-19-9-8-18-13-19;/h1-9,13H,10-12H2;1H
InChIKeyCPOSWSDBEXZYPN-UHFFFAOYSA-N
XLogP3.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride?
The IUPAC name of 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride (CID 12698936) is 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride?
The canonical SMILES for 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride is Cl.c1ccc2c(C3(Cn4ccnc4)OCCO3)cccc2c1.
What is the InChIKey of 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride?
The InChIKey is CPOSWSDBEXZYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.ClH/c1-2-6-15-14(4-1)5-3-7-16(15)17(20-10-11-21-17)12-19-9-8-18-13-19;/h1-9,13H,10-12H2;1H.
What are the key properties of 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride?
1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole;hydrochloride is sourced from PubChem (CID 12698936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).