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

C18H15N3O2S — CID 3242211

IUPAC1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C18H15N3O2S/c22-17(16-10-14-5-1-2-6-15(14)23-16)21-9-8-20-18(21)24-12-13-4-3-7-19-11-13/h1-7,10-11H,8-9,12H2
InChIKeyVHWZPDBDZLWGJU-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.57
Rot. Bonds3

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

1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3242211) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3242211
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C18H15N3O2S/c22-17(16-10-14-5-1-2-6-15(14)23-16)21-9-8-20-18(21)24-12-13-4-3-7-19-11-13/h1-7,10-11H,8-9,12H2
InChIKeyVHWZPDBDZLWGJU-UHFFFAOYSA-N
XLogP3.57
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methyl-benzofuran-2-carbonyl)-3-(3-methyl-pyridin-2-yl)-thiourea
CID 741781
2-[(2-pyridinylthio)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one
CID 135412412
N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 2872083
3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarboxamide
CID 18106749
3-methyl-N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 21211963
N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 748350
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572
N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 66551727
N-(6-methoxypyridin-3-yl)-1-benzofuran-2-carboxamide
CID 1503572
benzo[d]furan-2-yl-N-{[(3-pyridylmethyl)amino]thioxomethyl}carboxamide
CID 741776
5-ethyl-3-methyl-N-(4-pyridinylmethyl)-1-benzofuran-2-carboxamide
CID 852715
3-methyl-N-2-pyridinyl-1-benzofuran-2-carboxamide
CID 1245473

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (CID 3242211) is 1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN=C1SCc1cccnc1.
What is the InChIKey of 1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is VHWZPDBDZLWGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-17(16-10-14-5-1-2-6-15(14)23-16)21-9-8-20-18(21)24-12-13-4-3-7-19-11-13/h1-7,10-11H,8-9,12H2.
What are the key properties of 1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 337.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3242211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).