4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one

C13H16BrN3O — CID 116978967

IUPAC4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one
SMILESO=C1NC(c2ccc(Br)cc2)CN1C1CCNC1
InChIInChI=1S/C13H16BrN3O/c14-10-3-1-9(2-4-10)12-8-17(13(18)16-12)11-5-6-15-7-11/h1-4,11-12,15H,5-8H2,(H,16,18)
InChIKeySJHQJRURRZHEAQ-UHFFFAOYSA-N
MW310.19 g/mol
LogP1.88
Rot. Bonds2

About 4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one

4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one (PubChem CID 116978967) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one
PubChem CID116978967
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one
SMILESO=C1NC(c2ccc(Br)cc2)CN1C1CCNC1
InChIInChI=1S/C13H16BrN3O/c14-10-3-1-9(2-4-10)12-8-17(13(18)16-12)11-5-6-15-7-11/h1-4,11-12,15H,5-8H2,(H,16,18)
InChIKeySJHQJRURRZHEAQ-UHFFFAOYSA-N
XLogP1.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one?
The IUPAC name of 4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one (CID 116978967) is 4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one is O=C1NC(c2ccc(Br)cc2)CN1C1CCNC1.
What is the InChIKey of 4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one?
The InChIKey is SJHQJRURRZHEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c14-10-3-1-9(2-4-10)12-8-17(13(18)16-12)11-5-6-15-7-11/h1-4,11-12,15H,5-8H2,(H,16,18).
What are the key properties of 4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one?
4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one has a molecular weight of 310.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one is sourced from PubChem (CID 116978967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).