2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride

C14H16ClN2O2- — CID 51371238

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride
SMILESCCn1ccnc1CC1COc2ccccc2O1.[Cl-]
InChIInChI=1S/C14H16N2O2.ClH/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;1H/p-1
InChIKeyANDJPJNFVJXEKX-UHFFFAOYSA-M
MW279.75 g/mol
LogP-0.71
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride (PubChem CID 51371238) has the molecular formula C14H16ClN2O2- and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride
PubChem CID51371238
Molecular FormulaC14H16ClN2O2-
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride
SMILESCCn1ccnc1CC1COc2ccccc2O1.[Cl-]
InChIInChI=1S/C14H16N2O2.ClH/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;1H/p-1
InChIKeyANDJPJNFVJXEKX-UHFFFAOYSA-M
XLogP-0.71
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole
CID 6603891
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-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride (CID 51371238) is 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride is CCn1ccnc1CC1COc2ccccc2O1.[Cl-].
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride?
The InChIKey is ANDJPJNFVJXEKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16N2O2.ClH/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;1H/p-1.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride?
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride has a molecular weight of 279.75 g/mol, XLogP of -0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride is sourced from PubChem (CID 51371238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).