5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole

C14H16N2O2 — CID 59037622

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole
SMILESCc1ncn(C)c1Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O2/c1-10-12(16(2)9-15-10)7-11-3-4-13-14(8-11)18-6-5-17-13/h3-4,8-9H,5-7H2,1-2H3
InChIKeyHHEHVJFYMANJGB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.09
Rot. Bonds2

About 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole

5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole (PubChem CID 59037622) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole
PubChem CID59037622
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole
SMILESCc1ncn(C)c1Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O2/c1-10-12(16(2)9-15-10)7-11-3-4-13-14(8-11)18-6-5-17-13/h3-4,8-9H,5-7H2,1-2H3
InChIKeyHHEHVJFYMANJGB-UHFFFAOYSA-N
XLogP2.09
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylimidazole-1-sulfonic acid
CID 22598412
3-chloro-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-1,2,4-triazole
CID 55183116
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine
CID 82293610
4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole
CID 84611196
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 47156644
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 10467085
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethylpyrrol-1-amine
CID 79090148
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547184
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole (CID 59037622) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole is Cc1ncn(C)c1Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole?
The InChIKey is HHEHVJFYMANJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-12(16(2)9-15-10)7-11-3-4-13-14(8-11)18-6-5-17-13/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole?
5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole has a molecular weight of 244.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole is sourced from PubChem (CID 59037622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).