1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole

C17H21N3O3S — CID 163350041

IUPAC1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole
SMILESCCc1nccn1CC1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H21N3O3S/c1-2-17-18-6-7-19(17)10-13-11-20(12-13)24(21,22)15-3-4-16-14(9-15)5-8-23-16/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3
InChIKeyFJRLHZVTGSABGN-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.70
Rot. Bonds5

About 1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole

1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole (PubChem CID 163350041) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole.

Molecular Properties

Compound Name1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole
PubChem CID163350041
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole
SMILESCCc1nccn1CC1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H21N3O3S/c1-2-17-18-6-7-19(17)10-13-11-20(12-13)24(21,22)15-3-4-16-14(9-15)5-8-23-16/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3
InChIKeyFJRLHZVTGSABGN-UHFFFAOYSA-N
XLogP1.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-2-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927712
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
(3aR,6aR)-2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-5-(1-methylimidazol-2-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 169128399
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol
CID 43589686
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3,5-dimethylpiperazine;hydrochloride
CID 119980558
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561902
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 55502979
3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163355188
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]pyrimidin-4-amine
CID 126855226
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-(2,2,2-trifluoroethoxy)azetidine
CID 121175640

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole?
The IUPAC name of 1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole (CID 163350041) is 1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole.
What is the SMILES notation for 1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole?
The canonical SMILES for 1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole is CCc1nccn1CC1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole?
The InChIKey is FJRLHZVTGSABGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-17-18-6-7-19(17)10-13-11-20(12-13)24(21,22)15-3-4-16-14(9-15)5-8-23-16/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3.
What are the key properties of 1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole?
1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole has a molecular weight of 347.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]-2-ethylimidazole is sourced from PubChem (CID 163350041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).