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

C18H18N2O3 — CID 13318659

IUPAC2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(COC2(C3=NCCN3)COc3ccccc3O2)cc1
InChIInChI=1S/C18H18N2O3/c1-2-6-14(7-3-1)12-22-18(17-19-10-11-20-17)13-21-15-8-4-5-9-16(15)23-18/h1-9H,10-13H2,(H,19,20)
InChIKeyAPFXOJOOVSZMMY-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.37
Rot. Bonds4

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

2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (PubChem CID 13318659) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
PubChem CID13318659
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(COC2(C3=NCCN3)COc3ccccc3O2)cc1
InChIInChI=1S/C18H18N2O3/c1-2-6-14(7-3-1)12-22-18(17-19-10-11-20-17)13-21-15-8-4-5-9-16(15)23-18/h1-9H,10-13H2,(H,19,20)
InChIKeyAPFXOJOOVSZMMY-UHFFFAOYSA-N
XLogP2.37
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole (CID 13318659) is 2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is c1ccc(COC2(C3=NCCN3)COc3ccccc3O2)cc1.
What is the InChIKey of 2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is APFXOJOOVSZMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-6-14(7-3-1)12-22-18(17-19-10-11-20-17)13-21-15-8-4-5-9-16(15)23-18/h1-9H,10-13H2,(H,19,20).
What are the key properties of 2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole?
2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 310.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 13318659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).