2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide

C12H21N3O — CID 115616718

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1cnc(C)c1C
InChIInChI=1S/C12H21N3O/c1-6-12(4,5)14-11(16)7-15-8-13-9(2)10(15)3/h8H,6-7H2,1-5H3,(H,14,16)
InChIKeyWKFGGJONVSMEHE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.80
Rot. Bonds4

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

2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 115616718) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID115616718
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1cnc(C)c1C
InChIInChI=1S/C12H21N3O/c1-6-12(4,5)14-11(16)7-15-8-13-9(2)10(15)3/h8H,6-7H2,1-5H3,(H,14,16)
InChIKeyWKFGGJONVSMEHE-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethylimidazol-1-yl)acetohydrazide
CID 63577093
N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483585
N-(2-methylbutan-2-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646866
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 61486141
N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 55064353
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8573283
methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65172945
ethyl 2-amino-3-(4,5-dimethylimidazol-1-yl)-2-methylpropanoate
CID 62351128
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 79411155

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide (CID 115616718) is 2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1cnc(C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is WKFGGJONVSMEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-12(4,5)14-11(16)7-15-8-13-9(2)10(15)3/h8H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.80, 4 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 115616718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).