2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide

C10H17N3O — CID 57255955

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cnc(C)c1C
InChIInChI=1S/C10H17N3O/c1-5-11-10(14)9(4)13-6-12-7(2)8(13)3/h6,9H,5H2,1-4H3,(H,11,14)
InChIKeyBUYDYIBVMRLTON-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.20
Rot. Bonds3

About 2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide

2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide (PubChem CID 57255955) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide
PubChem CID57255955
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cnc(C)c1C
InChIInChI=1S/C10H17N3O/c1-5-11-10(14)9(4)13-6-12-7(2)8(13)3/h6,9H,5H2,1-4H3,(H,11,14)
InChIKeyBUYDYIBVMRLTON-UHFFFAOYSA-N
XLogP1.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide (CID 57255955) is 2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1cnc(C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide?
The InChIKey is BUYDYIBVMRLTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-5-11-10(14)9(4)13-6-12-7(2)8(13)3/h6,9H,5H2,1-4H3,(H,11,14).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide?
2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide has a molecular weight of 195.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 57255955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).