2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole

C14H16N2O3 — CID 162638690

IUPAC2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
SMILESCOc1cc2c(cc1-c1nccn1C(C)C)OCO2
InChIInChI=1S/C14H16N2O3/c1-9(2)16-5-4-15-14(16)10-6-12-13(19-8-18-12)7-11(10)17-3/h4-7,9H,8H2,1-3H3
InChIKeyAXUSCGTWSUXEPK-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.87
Rot. Bonds3

About 2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole

2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole (PubChem CID 162638690) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
PubChem CID162638690
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
SMILESCOc1cc2c(cc1-c1nccn1C(C)C)OCO2
InChIInChI=1S/C14H16N2O3/c1-9(2)16-5-4-15-14(16)10-6-12-13(19-8-18-12)7-11(10)17-3/h4-7,9H,8H2,1-3H3
InChIKeyAXUSCGTWSUXEPK-UHFFFAOYSA-N
XLogP2.87
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-(6-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138380939
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292
5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 163307237
2-(6-methyl-1,3-benzodioxol-5-yl)-1-[1-(4-methylsulfonylphenyl)ethyl]imidazole
CID 70728010
2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
CID 56872081
(5R)-5-[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]-1-methylpiperidin-2-one
CID 96571221
2-(6-methoxy-1,3-benzodioxol-5-yl)-7-methylpurine
CID 157013233
3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine
CID 154568884
3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine
CID 162632386
3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine
CID 163311853
2-methoxy-4-[[2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]methyl]phenol
CID 56900365
5-(6-methoxy-1,3-benzodioxol-5-yl)-3-methyl-1H-pyridazin-6-one
CID 157011122

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole?
The IUPAC name of 2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole (CID 162638690) is 2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole.
What is the SMILES notation for 2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole?
The canonical SMILES for 2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole is COc1cc2c(cc1-c1nccn1C(C)C)OCO2.
What is the InChIKey of 2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole?
The InChIKey is AXUSCGTWSUXEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)16-5-4-15-14(16)10-6-12-13(19-8-18-12)7-11(10)17-3/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole?
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole has a molecular weight of 260.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole is sourced from PubChem (CID 162638690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).