2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole

C18H14N2O3 — CID 155501108

IUPAC2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole
SMILESc1ccc2c(c1)OCC2n1ccnc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O3/c1-2-4-15-13(3-1)14(10-21-15)20-8-7-19-18(20)12-5-6-16-17(9-12)23-11-22-16/h1-9,14H,10-11H2
InChIKeyKXGZYWQFEYGFCQ-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.26
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole

2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole (PubChem CID 155501108) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole
PubChem CID155501108
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole
SMILESc1ccc2c(c1)OCC2n1ccnc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O3/c1-2-4-15-13(3-1)14(10-21-15)20-8-7-19-18(20)12-5-6-16-17(9-12)23-11-22-16/h1-9,14H,10-11H2
InChIKeyKXGZYWQFEYGFCQ-UHFFFAOYSA-N
XLogP3.26
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole (CID 155501108) is 2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole is c1ccc2c(c1)OCC2n1ccnc1-c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole?
The InChIKey is KXGZYWQFEYGFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-2-4-15-13(3-1)14(10-21-15)20-8-7-19-18(20)12-5-6-16-17(9-12)23-11-22-16/h1-9,14H,10-11H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole?
2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole has a molecular weight of 306.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole is sourced from PubChem (CID 155501108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).