2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole

C14H16N2O2 — CID 6603891

IUPAC2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole
SMILESCCn1ccnc1C[C@@H]1COc2ccccc2O1
InChIInChI=1S/C14H16N2O2/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11/h3-8,11H,2,9-10H2,1H3/t11-/m1/s1
InChIKeyUXABARREKCJULM-LLVKDONJSA-N
MW244.29 g/mol
LogP2.29
Rot. Bonds3

About 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole

2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole (PubChem CID 6603891) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole.

Molecular Properties

Compound Name2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole
PubChem CID6603891
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole
SMILESCCn1ccnc1C[C@@H]1COc2ccccc2O1
InChIInChI=1S/C14H16N2O2/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11/h3-8,11H,2,9-10H2,1H3/t11-/m1/s1
InChIKeyUXABARREKCJULM-LLVKDONJSA-N
XLogP2.29
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride
CID 51371238
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazole
CID 129497522
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 124757868
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752635
1-[(1-benzylimidazol-2-yl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 111795118
[5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazol-2-yl]furan-2-yl]methanol
CID 56861091
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 94017188
N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 90651021
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-propylpiperazine;dihydrochloride
CID 52997126
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole?
The IUPAC name of 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole (CID 6603891) is 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole.
What is the SMILES notation for 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole?
The canonical SMILES for 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole is CCn1ccnc1C[C@@H]1COc2ccccc2O1.
What is the InChIKey of 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole?
The InChIKey is UXABARREKCJULM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11/h3-8,11H,2,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole?
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole has a molecular weight of 244.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole is sourced from PubChem (CID 6603891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).