3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one

C13H15N3O — CID 2180669

IUPAC3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCC2)CN1c1ccccc1
InChIInChI=1S/C13H15N3O/c17-13-14-12(15-8-4-5-9-15)10-16(13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyBXLBYHFJYJBZRL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.12
Rot. Bonds1

About 3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one

3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one (PubChem CID 2180669) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one
PubChem CID2180669
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCC2)CN1c1ccccc1
InChIInChI=1S/C13H15N3O/c17-13-14-12(15-8-4-5-9-15)10-16(13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyBXLBYHFJYJBZRL-UHFFFAOYSA-N
XLogP2.12
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one?
The IUPAC name of 3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one (CID 2180669) is 3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one.
What is the SMILES notation for 3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one?
The canonical SMILES for 3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one is O=C1N=C(N2CCCC2)CN1c1ccccc1.
What is the InChIKey of 3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one?
The InChIKey is BXLBYHFJYJBZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13-14-12(15-8-4-5-9-15)10-16(13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one?
3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-pyrrolidin-1-yl-4H-imidazol-2-one is sourced from PubChem (CID 2180669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).