1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one

C16H21N3O — CID 117431461

IUPAC1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one
SMILESCC(C)n1ccn(-c2ccc(C3CCCN3)cc2)c1=O
InChIInChI=1S/C16H21N3O/c1-12(2)18-10-11-19(16(18)20)14-7-5-13(6-8-14)15-4-3-9-17-15/h5-8,10-12,15,17H,3-4,9H2,1-2H3
InChIKeyVNHRMWVAPWFKRZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.64
Rot. Bonds3

About 1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one

1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one (PubChem CID 117431461) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one
PubChem CID117431461
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one
SMILESCC(C)n1ccn(-c2ccc(C3CCCN3)cc2)c1=O
InChIInChI=1S/C16H21N3O/c1-12(2)18-10-11-19(16(18)20)14-7-5-13(6-8-14)15-4-3-9-17-15/h5-8,10-12,15,17H,3-4,9H2,1-2H3
InChIKeyVNHRMWVAPWFKRZ-UHFFFAOYSA-N
XLogP2.64
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one?
The IUPAC name of 1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one (CID 117431461) is 1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one?
The canonical SMILES for 1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one is CC(C)n1ccn(-c2ccc(C3CCCN3)cc2)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one?
The InChIKey is VNHRMWVAPWFKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)18-10-11-19(16(18)20)14-7-5-13(6-8-14)15-4-3-9-17-15/h5-8,10-12,15,17H,3-4,9H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one?
1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one is sourced from PubChem (CID 117431461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).