1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

C19H17BrFN5O3S2 — CID 11678103

IUPAC1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(Br)c(-c2ccc(S(=O)(=O)c3ccc(F)cc3)s2)n1
InChIInChI=1S/C19H17BrFN5O3S2/c20-14-11-24-18(22-7-9-26-10-8-23-19(26)27)25-17(14)15-5-6-16(30-15)31(28,29)13-3-1-12(21)2-4-13/h1-6,11H,7-10H2,(H,23,27)(H,22,24,25)
InChIKeyHWLVXRRUEHGCDS-UHFFFAOYSA-N
MW526.41 g/mol
LogP3.38
Rot. Bonds7

About 1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 11678103) has the molecular formula C19H17BrFN5O3S2 and a molecular weight of 526.41 g/mol. Its IUPAC name is 1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
PubChem CID11678103
Molecular FormulaC19H17BrFN5O3S2
Molecular Weight526.41 g/mol
Exact Mass524.99
IUPAC Name1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(Br)c(-c2ccc(S(=O)(=O)c3ccc(F)cc3)s2)n1
InChIInChI=1S/C19H17BrFN5O3S2/c20-14-11-24-18(22-7-9-26-10-8-23-19(26)27)25-17(14)15-5-6-16(30-15)31(28,29)13-3-1-12(21)2-4-13/h1-6,11H,7-10H2,(H,23,27)(H,22,24,25)
InChIKeyHWLVXRRUEHGCDS-UHFFFAOYSA-N
XLogP3.38
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (CID 11678103) is 1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1ncc(Br)c(-c2ccc(S(=O)(=O)c3ccc(F)cc3)s2)n1.
What is the InChIKey of 1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is HWLVXRRUEHGCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN5O3S2/c20-14-11-24-18(22-7-9-26-10-8-23-19(26)27)25-17(14)15-5-6-16(30-15)31(28,29)13-3-1-12(21)2-4-13/h1-6,11H,7-10H2,(H,23,27)(H,22,24,25).
What are the key properties of 1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 526.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-bromo-4-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 11678103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).