3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide

C11H19N3O2 — CID 84577589

IUPAC3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(C)c(C)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-4-6-12-10(15)5-7-14-9(3)8(2)13-11(14)16/h4-7H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyHBTGSGFVWMKQAS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.71
Rot. Bonds5

About 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide

3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide (PubChem CID 84577589) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
PubChem CID84577589
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(C)c(C)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-4-6-12-10(15)5-7-14-9(3)8(2)13-11(14)16/h4-7H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyHBTGSGFVWMKQAS-UHFFFAOYSA-N
XLogP0.71
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide (CID 84577589) is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide is CCCNC(=O)CCn1c(C)c(C)[nH]c1=O.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
The InChIKey is HBTGSGFVWMKQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-6-12-10(15)5-7-14-9(3)8(2)13-11(14)16/h4-7H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide has a molecular weight of 225.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-propylpropanamide is sourced from PubChem (CID 84577589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).