2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C13H21N3O2 — CID 55064595

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1cnc(C)c1C)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)13(11(5)17)15-12(18)6-16-7-14-9(3)10(16)4/h7-8,13H,6H2,1-5H3,(H,15,18)
InChIKeyGPEDFRVCTVGYEC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.23
Rot. Bonds5

About 2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 55064595) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID55064595
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1cnc(C)c1C)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)13(11(5)17)15-12(18)6-16-7-14-9(3)10(16)4/h7-8,13H,6H2,1-5H3,(H,15,18)
InChIKeyGPEDFRVCTVGYEC-UHFFFAOYSA-N
XLogP1.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53700598
CID 53776483
CID 53776483
CID 53960744
CID 53960744
CID 54003789
CID 54003789
CID 54264805
CID 54264805
CID 54264831
CID 54264831
CID 54289720
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CID 54301914
CID 54301914

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 55064595) is 2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)Cn1cnc(C)c1C)C(C)C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is GPEDFRVCTVGYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)13(11(5)17)15-12(18)6-16-7-14-9(3)10(16)4/h7-8,13H,6H2,1-5H3,(H,15,18).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 55064595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).