2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

C14H16N2O3 — CID 13318658

IUPAC2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESC=CCOC1(C2=NCCN2)COc2ccccc2O1
InChIInChI=1S/C14H16N2O3/c1-2-9-18-14(13-15-7-8-16-13)10-17-11-5-3-4-6-12(11)19-14/h2-6H,1,7-10H2,(H,15,16)
InChIKeyFPVVPRXEQBJFKY-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.36
Rot. Bonds4

About 2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (PubChem CID 13318658) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
PubChem CID13318658
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESC=CCOC1(C2=NCCN2)COc2ccccc2O1
InChIInChI=1S/C14H16N2O3/c1-2-9-18-14(13-15-7-8-16-13)10-17-11-5-3-4-6-12(11)19-14/h2-6H,1,7-10H2,(H,15,16)
InChIKeyFPVVPRXEQBJFKY-UHFFFAOYSA-N
XLogP1.36
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (CID 13318658) is 2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is C=CCOC1(C2=NCCN2)COc2ccccc2O1.
What is the InChIKey of 2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is FPVVPRXEQBJFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-9-18-14(13-15-7-8-16-13)10-17-11-5-3-4-6-12(11)19-14/h2-6H,1,7-10H2,(H,15,16).
What are the key properties of 2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 260.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 13318658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).