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

C15H18N2O2 — CID 12816469

IUPAC1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
SMILESc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-4-14(5-3-1)6-7-15(18-10-11-19-15)12-17-9-8-16-13-17/h1-5,8-9,13H,6-7,10-12H2
InChIKeyGKXREDWUTLNBPG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.26
Rot. Bonds5

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

1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 12816469) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID12816469
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
SMILESc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-4-14(5-3-1)6-7-15(18-10-11-19-15)12-17-9-8-16-13-17/h1-5,8-9,13H,6-7,10-12H2
InChIKeyGKXREDWUTLNBPG-UHFFFAOYSA-N
XLogP2.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(((2R,4R)-2-(4-chlorophenethyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-imidazole hydrochloride
CID 11624321
1-[[2-(2-Phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 25143347
Imidazole-dioxolane, 16
CID 42636947
2-(2-(4-chlorophenyl)ethyl)-2-((1H-imidazol-1-yl)methyl)-1,3-dioxolane
CID 11500273
OB 24 hydrochloride
CID 45265865
1-(2-Hydroxy-4-phenylbutyl)imidazole
CID 13457355
Imidazole-dioxolane, 31
CID 25143211
Imidazole-dioxolane, 32
CID 25143217
1-Imidazol-1-yl-4-phenylbutan-2-ol;hydrochloride
CID 25143490
Imidazole-dioxolane, 34
CID 44565242
Imidazole-dioxolane, 35
CID 44565243
Imidazole-dioxolane, 37
CID 44565256

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole (CID 12816469) is 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole is c1ccc(CCC2(Cn3ccnc3)OCCO2)cc1.
What is the InChIKey of 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is GKXREDWUTLNBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-4-14(5-3-1)6-7-15(18-10-11-19-15)12-17-9-8-16-13-17/h1-5,8-9,13H,6-7,10-12H2.
What are the key properties of 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole?
1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 258.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 12816469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).