2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone

C21H21FN4O2S — CID 58752334

IUPAC2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCn1c(SCC(=O)N2CCOCC2)nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H21FN4O2S/c1-25-20(16-6-8-23-9-7-16)19(15-2-4-17(22)5-3-15)24-21(25)29-14-18(27)26-10-12-28-13-11-26/h2-9H,10-14H2,1H3
InChIKeyLGIJCSIIUGVLQZ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.24
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone

2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 58752334) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID58752334
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC Name2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCn1c(SCC(=O)N2CCOCC2)nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H21FN4O2S/c1-25-20(16-6-8-23-9-7-16)19(15-2-4-17(22)5-3-15)24-21(25)29-14-18(27)26-10-12-28-13-11-26/h2-9H,10-14H2,1H3
InChIKeyLGIJCSIIUGVLQZ-UHFFFAOYSA-N
XLogP3.24
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone with MolForge

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Related Compounds

4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one
CID 142830702
5-(4-fluorophenyl)-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 1139851
4-[2-(3-chloropropylsulfanyl)-5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyridine
CID 58752317
3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one
CID 58752315
2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 7217512
2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 3181207
2-[[7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 18569895
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanylpurine-2,6-dione
CID 1083160
2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 39921654
1-(azepan-1-yl)-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16514070
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 23859566
N-[4-[5-(4-ethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanyl-3-methylimidazol-4-yl]-2-pyridinyl]acetamide;3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylpropane-1,2-diol
CID 142830706

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone (CID 58752334) is 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone is Cn1c(SCC(=O)N2CCOCC2)nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is LGIJCSIIUGVLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-25-20(16-6-8-23-9-7-16)19(15-2-4-17(22)5-3-15)24-21(25)29-14-18(27)26-10-12-28-13-11-26/h2-9H,10-14H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 412.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 58752334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).