1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one

C20H18FN3OS — CID 66576728

IUPAC1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one
SMILESCc1c(F)sc2ccc(N3CCN(c4cnccc4C4CC4)C3=O)cc12
InChIInChI=1S/C20H18FN3OS/c1-12-16-10-14(4-5-18(16)26-19(12)21)23-8-9-24(20(23)25)17-11-22-7-6-15(17)13-2-3-13/h4-7,10-11,13H,2-3,8-9H2,1H3
InChIKeyPTAVVTJGDQBXQI-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.07
Rot. Bonds3

About 1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one

1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one (PubChem CID 66576728) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one
PubChem CID66576728
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one
SMILESCc1c(F)sc2ccc(N3CCN(c4cnccc4C4CC4)C3=O)cc12
InChIInChI=1S/C20H18FN3OS/c1-12-16-10-14(4-5-18(16)26-19(12)21)23-8-9-24(20(23)25)17-11-22-7-6-15(17)13-2-3-13/h4-7,10-11,13H,2-3,8-9H2,1H3
InChIKeyPTAVVTJGDQBXQI-UHFFFAOYSA-N
XLogP5.07
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyl-3-pyridinyl)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 66576488
1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one
CID 59636222
1-[4-fluoro-3-(1-nitrosoethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 91036309
2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde
CID 59636164
1-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
CID 70982007
4-methyl-6-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-1H-quinolin-2-one
CID 59636149
1-[4-fluoro-3-(hydroxyiminomethyl)phenyl]-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 86649399
1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 68784575
1-(3-fluoro-4-phenylphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 174676000
5-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-2,3-dihydro-1H-indazole-3-carbaldehyde
CID 174664200
1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 59636202
1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylimidazolidin-2-one
CID 163559526

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one?
The IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one (CID 66576728) is 1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one?
The canonical SMILES for 1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one is Cc1c(F)sc2ccc(N3CCN(c4cnccc4C4CC4)C3=O)cc12.
What is the InChIKey of 1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one?
The InChIKey is PTAVVTJGDQBXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-12-16-10-14(4-5-18(16)26-19(12)21)23-8-9-24(20(23)25)17-11-22-7-6-15(17)13-2-3-13/h4-7,10-11,13H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one?
1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-pyridinyl)-3-(2-fluoro-3-methyl-1-benzothiophen-5-yl)imidazolidin-2-one is sourced from PubChem (CID 66576728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).