5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole

C14H16N2O3 — CID 14909938

IUPAC5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole
SMILESc1ccc(COCn2cncc2C2OCCO2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)9-17-11-16-10-15-8-13(16)14-18-6-7-19-14/h1-5,8,10,14H,6-7,9,11H2
InChIKeyOVXUPKXHFGLOQU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.10
Rot. Bonds5

About 5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole

5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole (PubChem CID 14909938) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole
PubChem CID14909938
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole
SMILESc1ccc(COCn2cncc2C2OCCO2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)9-17-11-16-10-15-8-13(16)14-18-6-7-19-14/h1-5,8,10,14H,6-7,9,11H2
InChIKeyOVXUPKXHFGLOQU-UHFFFAOYSA-N
XLogP2.10
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(phenylmethoxymethyl)pyrazin-2-one
CID 130538606
4-bromo-5-(1,3-dioxolan-2-yl)-2-ethyl-1-(phenylmethoxymethyl)imidazole
CID 18669041
3-(2-phenylmethoxyethyl)-1,4-dioxan-2-one
CID 154697506
4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
CID 86790507
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole
CID 73292795
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
2-[[1-carboxy-2-[3-(phenylmethoxymethyl)imidazol-4-yl]ethyl]amino]pentanoic acid
CID 20596037
(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 15720249
9-(phenylmethoxymethyl)carbazole
CID 2227531
1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 66602762
tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane
CID 102506117

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole?
The IUPAC name of 5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole (CID 14909938) is 5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole is c1ccc(COCn2cncc2C2OCCO2)cc1.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole?
The InChIKey is OVXUPKXHFGLOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)9-17-11-16-10-15-8-13(16)14-18-6-7-19-14/h1-5,8,10,14H,6-7,9,11H2.
What are the key properties of 5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole?
5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole has a molecular weight of 260.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole is sourced from PubChem (CID 14909938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).