5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one

C13H20N4O2 — CID 79985640

IUPAC5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1CC(=O)N1CCCC1
InChIInChI=1S/C13H20N4O2/c14-12-10(7-11(18)16-5-1-2-6-16)17(13(19)15-12)8-9-3-4-9/h9-10H,1-8H2,(H2,14,15,19)
InChIKeyHZRNURDVDJCECK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.57
Rot. Bonds4

About 5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one

5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one (PubChem CID 79985640) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one
PubChem CID79985640
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1CC(=O)N1CCCC1
InChIInChI=1S/C13H20N4O2/c14-12-10(7-11(18)16-5-1-2-6-16)17(13(19)15-12)8-9-3-4-9/h9-10H,1-8H2,(H2,14,15,19)
InChIKeyHZRNURDVDJCECK-UHFFFAOYSA-N
XLogP0.57
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one (CID 79985640) is 5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one is NC1=NC(=O)N(CC2CC2)C1CC(=O)N1CCCC1.
What is the InChIKey of 5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one?
The InChIKey is HZRNURDVDJCECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-12-10(7-11(18)16-5-1-2-6-16)17(13(19)15-12)8-9-3-4-9/h9-10H,1-8H2,(H2,14,15,19).
What are the key properties of 5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one?
5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopropylmethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-imidazol-2-one is sourced from PubChem (CID 79985640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).