1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole

C19H22N2O3 — CID 11971832

IUPAC1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole
SMILESCC1CC(C)(C)OC(Cn2ccnc2)(c2cc3ccccc3o2)O1
InChIInChI=1S/C19H22N2O3/c1-14-11-18(2,3)24-19(23-14,12-21-9-8-20-13-21)17-10-15-6-4-5-7-16(15)22-17/h4-10,13-14H,11-12H2,1-3H3
InChIKeyXXFLSBODDUWKFI-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.09
Rot. Bonds3

About 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole

1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole (PubChem CID 11971832) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole
PubChem CID11971832
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole
SMILESCC1CC(C)(C)OC(Cn2ccnc2)(c2cc3ccccc3o2)O1
InChIInChI=1S/C19H22N2O3/c1-14-11-18(2,3)24-19(23-14,12-21-9-8-20-13-21)17-10-15-6-4-5-7-16(15)22-17/h4-10,13-14H,11-12H2,1-3H3
InChIKeyXXFLSBODDUWKFI-UHFFFAOYSA-N
XLogP4.09
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole with MolForge

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Related Compounds

1-[[(2R,6R)-2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
CID 3062610
1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 11971831
1-[[2-(1-benzofuran-2-yl)-4-(propoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11971830
1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride
CID 12698934
1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 11971841
1-[[(2R,4S)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 3062617
1-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
CID 21154021
1-[[(2S,4S)-2-(1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 24847167
1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole
CID 73178422
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103
1-[[4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrobromide
CID 20547996
1-[[(2R,4S)-2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 3062603

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole (CID 11971832) is 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole is CC1CC(C)(C)OC(Cn2ccnc2)(c2cc3ccccc3o2)O1.
What is the InChIKey of 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole?
The InChIKey is XXFLSBODDUWKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-11-18(2,3)24-19(23-14,12-21-9-8-20-13-21)17-10-15-6-4-5-7-16(15)22-17/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole?
1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole has a molecular weight of 326.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole is sourced from PubChem (CID 11971832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).