1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole

C21H22N2O2 — CID 54524191

IUPAC1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole
SMILESCCC1(c2ccccc2)COC(Cn2ccnc2)(c2ccccc2)O1
InChIInChI=1S/C21H22N2O2/c1-2-20(18-9-5-3-6-10-18)16-24-21(25-20,15-23-14-13-22-17-23)19-11-7-4-8-12-19/h3-14,17H,2,15-16H2,1H3
InChIKeyYRYNIRKBCBOBNM-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.09
Rot. Bonds5

About 1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole

1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole (PubChem CID 54524191) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole
PubChem CID54524191
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole
SMILESCCC1(c2ccccc2)COC(Cn2ccnc2)(c2ccccc2)O1
InChIInChI=1S/C21H22N2O2/c1-2-20(18-9-5-3-6-10-18)16-24-21(25-20,15-23-14-13-22-17-23)19-11-7-4-8-12-19/h3-14,17H,2,15-16H2,1H3
InChIKeyYRYNIRKBCBOBNM-UHFFFAOYSA-N
XLogP4.09
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol
CID 66787940
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547857
1-[[4,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547813
4-[(2S)-2-ethyloxiran-2-yl]pyridine
CID 129363088
1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
CID 54232065
1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
CID 20547508
1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547705
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103
1-[[(2S,4S)-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 154680857
1-[[4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrobromide
CID 20547996
1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride
CID 12698934
1-[2-(2-benzyl-1,3-dioxan-2-yl)ethyl]imidazole
CID 20547993

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole?
The IUPAC name of 1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole (CID 54524191) is 1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole is CCC1(c2ccccc2)COC(Cn2ccnc2)(c2ccccc2)O1.
What is the InChIKey of 1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole?
The InChIKey is YRYNIRKBCBOBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-20(18-9-5-3-6-10-18)16-24-21(25-20,15-23-14-13-22-17-23)19-11-7-4-8-12-19/h3-14,17H,2,15-16H2,1H3.
What are the key properties of 1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole?
1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole has a molecular weight of 334.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole is sourced from PubChem (CID 54524191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).