1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole

C18H20N2O5 — CID 11971841

IUPAC1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole
SMILESCOc1cc(OC)c2oc(C3(Cn4ccnc4)OCC(C)O3)cc2c1
InChIInChI=1S/C18H20N2O5/c1-12-9-23-18(25-12,10-20-5-4-19-11-20)16-7-13-6-14(21-2)8-15(22-3)17(13)24-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeyUONQIULUDWIZML-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.93
Rot. Bonds5

About 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole

1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 11971841) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID11971841
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole
SMILESCOc1cc(OC)c2oc(C3(Cn4ccnc4)OCC(C)O3)cc2c1
InChIInChI=1S/C18H20N2O5/c1-12-9-23-18(25-12,10-20-5-4-19-11-20)16-7-13-6-14(21-2)8-15(22-3)17(13)24-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeyUONQIULUDWIZML-UHFFFAOYSA-N
XLogP2.93
TPSA67.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]imidazole
CID 11971832
[2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methanol
CID 13480565
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
4-[4-[[2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-triazole
CID 23460951
1-[4-[[2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]phenyl]tetrazole
CID 23335435
1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547721
[4-[[(2R,4R)-2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-phenylmethanone
CID 54492013
1-[[(2S,4R)-2-(2-chloro-4-methoxyphenyl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 54079230
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole (CID 11971841) is 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole is COc1cc(OC)c2oc(C3(Cn4ccnc4)OCC(C)O3)cc2c1.
What is the InChIKey of 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is UONQIULUDWIZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-9-23-18(25-12,10-20-5-4-19-11-20)16-7-13-6-14(21-2)8-15(22-3)17(13)24-16/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole?
1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 344.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 11971841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).