1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one

C17H14FN3OS — CID 59636222

IUPAC1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one
SMILESCc1c(N2CCN(c3cccnc3)C2=O)sc2ccc(F)cc12
InChIInChI=1S/C17H14FN3OS/c1-11-14-9-12(18)4-5-15(14)23-16(11)21-8-7-20(17(21)22)13-3-2-6-19-10-13/h2-6,9-10H,7-8H2,1H3
InChIKeyIEDBHAALQSYAKF-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.19
Rot. Bonds2

About 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one

1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one (PubChem CID 59636222) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one
PubChem CID59636222
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one
SMILESCc1c(N2CCN(c3cccnc3)C2=O)sc2ccc(F)cc12
InChIInChI=1S/C17H14FN3OS/c1-11-14-9-12(18)4-5-15(14)23-16(11)21-8-7-20(17(21)22)13-3-2-6-19-10-13/h2-6,9-10H,7-8H2,1H3
InChIKeyIEDBHAALQSYAKF-UHFFFAOYSA-N
XLogP4.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylimidazolidin-2-one
CID 163559526
1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one
CID 66576728
4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
CID 126851704
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one
CID 150091015
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126851693
8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 44612929
4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
CID 139531359
7-[(3-fluorophenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472971
2-methyl-4-[4-[3-methyl-2-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)-4-pyridinyl]-2-phenoxyphenyl]-1,2,4-triazol-3-one
CID 178108947
2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde
CID 59636164
5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride
CID 118741579

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one (CID 59636222) is 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one is Cc1c(N2CCN(c3cccnc3)C2=O)sc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one?
The InChIKey is IEDBHAALQSYAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-11-14-9-12(18)4-5-15(14)23-16(11)21-8-7-20(17(21)22)13-3-2-6-19-10-13/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one?
1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one has a molecular weight of 327.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one is sourced from PubChem (CID 59636222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).