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

C14H16N2O2 — CID 11778449

IUPAC2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESC=C(C)C1(C2=NCCN2)COc2ccccc2O1
InChIInChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)
InChIKeyNWQNAHNOSRIILV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.77
Rot. Bonds2

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

2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (PubChem CID 11778449) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
PubChem CID11778449
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESC=C(C)C1(C2=NCCN2)COc2ccccc2O1
InChIInChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)
InChIKeyNWQNAHNOSRIILV-UHFFFAOYSA-N
XLogP1.77
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (CID 11778449) is 2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is C=C(C)C1(C2=NCCN2)COc2ccccc2O1.
What is the InChIKey of 2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is NWQNAHNOSRIILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16).
What are the key properties of 2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 244.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-1-en-2-yl-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11778449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).