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

C18H18N2O2 — CID 20567228

IUPAC1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole
SMILESc1ccc2c(C3(CCn4ccnc4)OCCO3)cccc2c1
InChIInChI=1S/C18H18N2O2/c1-2-6-16-15(4-1)5-3-7-17(16)18(21-12-13-22-18)8-10-20-11-9-19-14-20/h1-7,9,11,14H,8,10,12-13H2
InChIKeyNINQIQNBSNEHHE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.33
Rot. Bonds4

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

1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole (PubChem CID 20567228) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole
PubChem CID20567228
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole
SMILESc1ccc2c(C3(CCn4ccnc4)OCCO3)cccc2c1
InChIInChI=1S/C18H18N2O2/c1-2-6-16-15(4-1)5-3-7-17(16)18(21-12-13-22-18)8-10-20-11-9-19-14-20/h1-7,9,11,14H,8,10,12-13H2
InChIKeyNINQIQNBSNEHHE-UHFFFAOYSA-N
XLogP3.33
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 22466842
1-[2-(2-benzyl-1,3-dioxan-2-yl)ethyl]imidazole
CID 20547993
1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882
1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547788
1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70548406
3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
CID 155534982
1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547705
1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547939
1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
CID 20547508
1-(4-imidazol-1-ylbutyl)indole
CID 151284685
1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 22466816
1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547846

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole?
The IUPAC name of 1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole (CID 20567228) is 1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole?
The canonical SMILES for 1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole is c1ccc2c(C3(CCn4ccnc4)OCCO3)cccc2c1.
What is the InChIKey of 1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole?
The InChIKey is NINQIQNBSNEHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-6-16-15(4-1)5-3-7-17(16)18(21-12-13-22-18)8-10-20-11-9-19-14-20/h1-7,9,11,14H,8,10,12-13H2.
What are the key properties of 1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole?
1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole has a molecular weight of 294.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole is sourced from PubChem (CID 20567228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).