2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone

C18H19N3O2S — CID 5165403

IUPAC2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SCc2cccnc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-23-16-6-4-14(5-7-16)11-17(22)21-10-9-20-18(21)24-13-15-3-2-8-19-12-15/h2-8,12H,9-11,13H2,1H3
InChIKeyMCEISWLQFVLPII-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.76
Rot. Bonds5

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

2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 5165403) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID5165403
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SCc2cccnc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-23-16-6-4-14(5-7-16)11-17(22)21-10-9-20-18(21)24-13-15-3-2-8-19-12-15/h2-8,12H,9-11,13H2,1H3
InChIKeyMCEISWLQFVLPII-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97470514
1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
CID 97370728
1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-phenylphenyl)ethanone
CID 4095625
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(pyridin-3-ylmethylsulfanyl)ethanone
CID 55670291
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-[4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone
CID 55691441
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone
CID 55686756
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
CID 3242813
2-(4-methoxyphenyl)-1-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 53087835
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone
CID 3415570
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone (CID 5165403) is 2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone is COc1ccc(CC(=O)N2CCN=C2SCc2cccnc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is MCEISWLQFVLPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-23-16-6-4-14(5-7-16)11-17(22)21-10-9-20-18(21)24-13-15-3-2-8-19-12-15/h2-8,12H,9-11,13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 341.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 5165403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).