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

C17H16N2O2 — CID 12698935

IUPAC1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole
SMILESc1ccc2c(C3(Cn4ccnc4)OCCO3)cccc2c1
InChIInChI=1S/C17H16N2O2/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
InChIKeyAHHVQLWDGKTGLT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.94
Rot. Bonds3

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

1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole (PubChem CID 12698935) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole
PubChem CID12698935
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole
SMILESc1ccc2c(C3(Cn4ccnc4)OCCO3)cccc2c1
InChIInChI=1S/C17H16N2O2/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
InChIKeyAHHVQLWDGKTGLT-UHFFFAOYSA-N
XLogP2.94
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.94
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?
The IUPAC name of 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole (CID 12698935) is 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole is c1ccc2c(C3(Cn4ccnc4)OCCO3)cccc2c1.
What is the InChIKey of 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole?
The InChIKey is AHHVQLWDGKTGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/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.
What are the key properties of 1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole?
1-[(2-naphthalen-1-yl-1,3-dioxolan-2-yl)methyl]imidazole has a molecular weight of 280.33 g/mol, XLogP of 2.94, 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 is sourced from PubChem (CID 12698935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).