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

C17H17N3O2S — CID 3236440

IUPAC(2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C17H17N3O2S/c1-22-15-7-3-2-6-14(15)16(21)20-10-9-19-17(20)23-12-13-5-4-8-18-11-13/h2-8,11H,9-10,12H2,1H3
InChIKeyCZLLDMAWUWRUAQ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.84
Rot. Bonds4

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

(2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3236440) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3236440
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C17H17N3O2S/c1-22-15-7-3-2-6-14(15)16(21)20-10-9-19-17(20)23-12-13-5-4-8-18-11-13/h2-8,11H,9-10,12H2,1H3
InChIKeyCZLLDMAWUWRUAQ-UHFFFAOYSA-N
XLogP2.84
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (CID 3236440) is (2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is COc1ccccc1C(=O)N1CCN=C1SCc1cccnc1.
What is the InChIKey of (2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is CZLLDMAWUWRUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-15-7-3-2-6-14(15)16(21)20-10-9-19-17(20)23-12-13-5-4-8-18-11-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of (2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
(2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 327.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3236440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).