1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one

C13H23N3O — CID 116625130

IUPAC1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one
SMILESCC(C)n1ccn(CCCN2CCCC2)c1=O
InChIInChI=1S/C13H23N3O/c1-12(2)16-11-10-15(13(16)17)9-5-8-14-6-3-4-7-14/h10-12H,3-9H2,1-2H3
InChIKeyRBQCLNVDEMHDHJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds5

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

1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one (PubChem CID 116625130) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one
PubChem CID116625130
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one
SMILESCC(C)n1ccn(CCCN2CCCC2)c1=O
InChIInChI=1S/C13H23N3O/c1-12(2)16-11-10-15(13(16)17)9-5-8-14-6-3-4-7-14/h10-12H,3-9H2,1-2H3
InChIKeyRBQCLNVDEMHDHJ-UHFFFAOYSA-N
XLogP1.72
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one?
The IUPAC name of 1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one (CID 116625130) is 1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one?
The canonical SMILES for 1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one is CC(C)n1ccn(CCCN2CCCC2)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one?
The InChIKey is RBQCLNVDEMHDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2)16-11-10-15(13(16)17)9-5-8-14-6-3-4-7-14/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one?
1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one is sourced from PubChem (CID 116625130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).