1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one

C16H23N3O — CID 117436394

IUPAC1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one
SMILESCC(C)N1CCN(c2cccc(C3CCCN3)c2)C1=O
InChIInChI=1S/C16H23N3O/c1-12(2)18-9-10-19(16(18)20)14-6-3-5-13(11-14)15-7-4-8-17-15/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3
InChIKeyRCWVBMHCCQCKNG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds3

About 1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one

1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one (PubChem CID 117436394) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one
PubChem CID117436394
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one
SMILESCC(C)N1CCN(c2cccc(C3CCCN3)c2)C1=O
InChIInChI=1S/C16H23N3O/c1-12(2)18-9-10-19(16(18)20)14-6-3-5-13(11-14)15-7-4-8-17-15/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3
InChIKeyRCWVBMHCCQCKNG-UHFFFAOYSA-N
XLogP2.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one
CID 117402530
1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117371582
1-methyl-4-(3-piperidin-2-ylphenyl)piperazine
CID 117403033
2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one
CID 117363194
2-[3-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131627
2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256
1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117487167
3-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanal
CID 117438638
2-amino-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
CID 117444231
N,N-dimethyl-3-pyrrolidin-2-ylaniline
CID 3982054
2-(3-pentan-3-ylphenyl)pyrrolidine
CID 83836317
1-(3-piperidin-2-ylphenyl)ethanol
CID 117116288

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one?
The IUPAC name of 1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one (CID 117436394) is 1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one is CC(C)N1CCN(c2cccc(C3CCCN3)c2)C1=O.
What is the InChIKey of 1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one?
The InChIKey is RCWVBMHCCQCKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)18-9-10-19(16(18)20)14-6-3-5-13(11-14)15-7-4-8-17-15/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one?
1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one is sourced from PubChem (CID 117436394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).