1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

C22H18ClFN6OS — CID 24938008

IUPAC1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4ccnc(Cl)c4)c3s2)n1
InChIInChI=1S/C22H18ClFN6OS/c23-18-11-13(4-5-25-18)15-3-1-2-14-10-17(32-20(14)15)19-16(24)12-28-21(29-19)26-6-8-30-9-7-27-22(30)31/h1-5,10-12H,6-9H2,(H,27,31)(H,26,28,29)
InChIKeyIGOYEBNSIXBBAD-UHFFFAOYSA-N
MW468.95 g/mol
LogP4.65
Rot. Bonds6

About 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 24938008) has the molecular formula C22H18ClFN6OS and a molecular weight of 468.95 g/mol. Its IUPAC name is 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
PubChem CID24938008
Molecular FormulaC22H18ClFN6OS
Molecular Weight468.95 g/mol
Exact Mass468.09
IUPAC Name1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4ccnc(Cl)c4)c3s2)n1
InChIInChI=1S/C22H18ClFN6OS/c23-18-11-13(4-5-25-18)15-3-1-2-14-10-17(32-20(14)15)19-16(24)12-28-21(29-19)26-6-8-30-9-7-27-22(30)31/h1-5,10-12H,6-9H2,(H,27,31)(H,26,28,29)
InChIKeyIGOYEBNSIXBBAD-UHFFFAOYSA-N
XLogP4.65
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[4-[7-(5-chloro-2-fluoro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24938010
1-[2-[[4-[7-(3-ethynyl-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24936974
1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24936343
1-[2-[[5-chloro-4-[7-(2-fluoro-5-methyl-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24937882
2-[[6-fluoro-4-[2-[5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-1-benzothiophen-7-yl]-3-pyridinyl]methylamino]acetonitrile
CID 59267437
1-[2-[[4-(7-bromo-1-benzothiophen-2-yl)-5-chloropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 66673975
1-[2-[[4-[7-[5-(1-azidoethyl)-2-fluoro-4-pyridinyl]-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 91275838
1-[2-[[5-chloro-4-[7-[5-[(dimethylamino)methyl]-2-fluoro-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 24936455
5-fluoro-4-[7-(2-fluoro-5-methyl-4-pyridinyl)-1-benzothiophen-2-yl]-N-[2-(triazol-1-yl)ethyl]pyrimidin-2-amine
CID 25120564
5-fluoro-4-[7-(2-methoxyphenyl)-1-benzothiophen-2-yl]-N-[2-(triazol-1-yl)ethyl]pyrimidin-2-amine
CID 59272452
5-fluoro-4-[7-[5-fluoro-2-[(1S)-1-piperazin-1-ylethyl]phenyl]-1-benzothiophen-2-yl]-N-[2-(triazol-1-yl)ethyl]pyrimidin-2-amine
CID 59272449
4-[7-(5-cyclopropyl-2-fluoro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoro-N-[2-(triazol-1-yl)ethyl]pyrimidin-2-amine
CID 59332520

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (CID 24938008) is 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4ccnc(Cl)c4)c3s2)n1.
What is the InChIKey of 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is IGOYEBNSIXBBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN6OS/c23-18-11-13(4-5-25-18)15-3-1-2-14-10-17(32-20(14)15)19-16(24)12-28-21(29-19)26-6-8-30-9-7-27-22(30)31/h1-5,10-12H,6-9H2,(H,27,31)(H,26,28,29).
What are the key properties of 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 468.95 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[7-(2-chloro-4-pyridinyl)-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 24938008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).