N-(4-ethyl-2-methylimidazol-1-yl)acetamide

C8H13N3O — CID 70351694

IUPACN-(4-ethyl-2-methylimidazol-1-yl)acetamide
SMILESCCc1cn(NC(C)=O)c(C)n1
InChIInChI=1S/C8H13N3O/c1-4-8-5-11(6(2)9-8)10-7(3)12/h5H,4H2,1-3H3,(H,10,12)
InChIKeyKHTARGCLUIWCAU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.84
Rot. Bonds2

About N-(4-ethyl-2-methylimidazol-1-yl)acetamide

N-(4-ethyl-2-methylimidazol-1-yl)acetamide (PubChem CID 70351694) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(4-ethyl-2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-2-methylimidazol-1-yl)acetamide
PubChem CID70351694
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(4-ethyl-2-methylimidazol-1-yl)acetamide
SMILESCCc1cn(NC(C)=O)c(C)n1
InChIInChI=1S/C8H13N3O/c1-4-8-5-11(6(2)9-8)10-7(3)12/h5H,4H2,1-3H3,(H,10,12)
InChIKeyKHTARGCLUIWCAU-UHFFFAOYSA-N
XLogP0.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-propyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one
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CID 44820635
N-[4-(trifluoromethyl)imidazol-1-yl]propanamide
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Histamine semicarbazide
CID 129763288
3-amino-N-[2-(1h-imidazol-4-yl)ethyl] propanamide dihydrochloride
CID 137797132
3-(2-Ethyl-4-methylimidazol-1-yl)propanehydrazide
CID 14766719
2-[(4-Ethyl-2-methylimidazol-1-yl)amino]propanenitrile
CID 19796037
2-ethyl-N,5-dimethylimidazol-1-amine
CID 21297768
2-(2-Methyl-4-propan-2-ylimidazol-1-yl)acetamide
CID 57678296
N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide
CID 67935086
3-(2-Ethyl-5-methylimidazol-1-yl)propanehydrazide
CID 70373057
5-Ethyl-1-methylimidazole-2-carboxamide
CID 89348260

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-(4-ethyl-2-methylimidazol-1-yl)acetamide (CID 70351694) is N-(4-ethyl-2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-ethyl-2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-ethyl-2-methylimidazol-1-yl)acetamide is CCc1cn(NC(C)=O)c(C)n1.
What is the InChIKey of N-(4-ethyl-2-methylimidazol-1-yl)acetamide?
The InChIKey is KHTARGCLUIWCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-8-5-11(6(2)9-8)10-7(3)12/h5H,4H2,1-3H3,(H,10,12).
What are the key properties of N-(4-ethyl-2-methylimidazol-1-yl)acetamide?
N-(4-ethyl-2-methylimidazol-1-yl)acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 70351694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).