(2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone

C18H19N3O2S — CID 3236912

IUPAC(2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C18H19N3O2S/c1-2-23-16-8-4-3-7-15(16)17(22)21-11-10-20-18(21)24-13-14-6-5-9-19-12-14/h3-9,12H,2,10-11,13H2,1H3
InChIKeyMBGRQJCZDIVYBX-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.23
Rot. Bonds5

About (2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone

(2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3236912) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3236912
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C18H19N3O2S/c1-2-23-16-8-4-3-7-15(16)17(22)21-11-10-20-18(21)24-13-14-6-5-9-19-12-14/h3-9,12H,2,10-11,13H2,1H3
InChIKeyMBGRQJCZDIVYBX-UHFFFAOYSA-N
XLogP3.23
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (CID 3236912) is (2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is CCOc1ccccc1C(=O)N1CCN=C1SCc1cccnc1.
What is the InChIKey of (2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is MBGRQJCZDIVYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-23-16-8-4-3-7-15(16)17(22)21-11-10-20-18(21)24-13-14-6-5-9-19-12-14/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
(2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 341.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3236912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).