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

C18H19N3O3S — CID 5020277

IUPAC(2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN=C2SCc2cccnc2)c(OC)c1
InChIInChI=1S/C18H19N3O3S/c1-23-14-5-6-15(16(10-14)24-2)17(22)21-9-8-20-18(21)25-12-13-4-3-7-19-11-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyFURZLARVGBOIOQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.84
Rot. Bonds5

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

(2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 5020277) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID5020277
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name(2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN=C2SCc2cccnc2)c(OC)c1
InChIInChI=1S/C18H19N3O3S/c1-23-14-5-6-15(16(10-14)24-2)17(22)21-9-8-20-18(21)25-12-13-4-3-7-19-11-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyFURZLARVGBOIOQ-UHFFFAOYSA-N
XLogP2.84
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (CID 5020277) is (2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is COc1ccc(C(=O)N2CCN=C2SCc2cccnc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is FURZLARVGBOIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-23-14-5-6-15(16(10-14)24-2)17(22)21-9-8-20-18(21)25-12-13-4-3-7-19-11-13/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
(2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 357.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 5020277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).