3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one

C13H14ClN3O — CID 11499925

IUPAC3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c14-10-3-5-11(6-4-10)17-9-12(15-13(17)18)16-7-1-2-8-16/h3-6H,1-2,7-9H2
InChIKeyXEFMEIXOAACSGR-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.77
Rot. Bonds1

About 3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one

3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one (PubChem CID 11499925) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one
PubChem CID11499925
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c14-10-3-5-11(6-4-10)17-9-12(15-13(17)18)16-7-1-2-8-16/h3-6H,1-2,7-9H2
InChIKeyXEFMEIXOAACSGR-UHFFFAOYSA-N
XLogP2.77
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one (CID 11499925) is 3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one is O=C1N=C(N2CCCC2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one?
The InChIKey is XEFMEIXOAACSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-3-5-11(6-4-10)17-9-12(15-13(17)18)16-7-1-2-8-16/h3-6H,1-2,7-9H2.
What are the key properties of 3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one?
3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one has a molecular weight of 263.73 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-pyrrolidin-1-yl-4H-imidazol-2-one is sourced from PubChem (CID 11499925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).