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

C18H19N3O3S — CID 3422135

IUPAC(3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN=C2SCc2cccnc2)c1
InChIInChI=1S/C18H19N3O3S/c1-23-15-8-14(9-16(10-15)24-2)17(22)21-7-6-20-18(21)25-12-13-4-3-5-19-11-13/h3-5,8-11H,6-7,12H2,1-2H3
InChIKeyUATZXSZKXKKTCJ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.84
Rot. Bonds5

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

(3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3422135) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3422135
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name(3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN=C2SCc2cccnc2)c1
InChIInChI=1S/C18H19N3O3S/c1-23-15-8-14(9-16(10-15)24-2)17(22)21-7-6-20-18(21)25-12-13-4-3-5-19-11-13/h3-5,8-11H,6-7,12H2,1-2H3
InChIKeyUATZXSZKXKKTCJ-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 (3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (CID 3422135) is (3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN=C2SCc2cccnc2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is UATZXSZKXKKTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-23-15-8-14(9-16(10-15)24-2)17(22)21-7-6-20-18(21)25-12-13-4-3-5-19-11-13/h3-5,8-11H,6-7,12H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
(3,5-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 (3,5-dimethoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3422135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).