1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole

C18H20N2O3 — CID 11971831

IUPAC1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole
SMILESCCCC1COC(Cn2ccnc2)(c2cc3ccccc3o2)O1
InChIInChI=1S/C18H20N2O3/c1-2-5-15-11-21-18(23-15,12-20-9-8-19-13-20)17-10-14-6-3-4-7-16(14)22-17/h3-4,6-10,13,15H,2,5,11-12H2,1H3
InChIKeyBNLAIQBZUARZQO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.70
Rot. Bonds5

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

1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 11971831) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID11971831
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole
SMILESCCCC1COC(Cn2ccnc2)(c2cc3ccccc3o2)O1
InChIInChI=1S/C18H20N2O3/c1-2-5-15-11-21-18(23-15,12-20-9-8-19-13-20)17-10-14-6-3-4-7-16(14)22-17/h3-4,6-10,13,15H,2,5,11-12H2,1H3
InChIKeyBNLAIQBZUARZQO-UHFFFAOYSA-N
XLogP3.70
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole (CID 11971831) is 1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole is CCCC1COC(Cn2ccnc2)(c2cc3ccccc3o2)O1.
What is the InChIKey of 1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is BNLAIQBZUARZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-5-15-11-21-18(23-15,12-20-9-8-19-13-20)17-10-14-6-3-4-7-16(14)22-17/h3-4,6-10,13,15H,2,5,11-12H2,1H3.
What are the key properties of 1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole?
1-[[2-(1-benzofuran-2-yl)-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 312.37 g/mol, XLogP of 3.70, 5 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-propyl-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 11971831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).