N-(2-methyl-2H-imidazol-4-yl)propanamide

C7H11N3O — CID 89270195

IUPACN-(2-methyl-2H-imidazol-4-yl)propanamide
SMILESCCC(=O)NC1=NC(C)N=C1
InChIInChI=1S/C7H11N3O/c1-3-7(11)10-6-4-8-5(2)9-6/h4-5H,3H2,1-2H3,(H,9,10,11)
InChIKeyGPSXWCNKMQUJKV-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.34
Rot. Bonds1

About N-(2-methyl-2H-imidazol-4-yl)propanamide

N-(2-methyl-2H-imidazol-4-yl)propanamide (PubChem CID 89270195) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(2-methyl-2H-imidazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-2H-imidazol-4-yl)propanamide
PubChem CID89270195
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-(2-methyl-2H-imidazol-4-yl)propanamide
SMILESCCC(=O)NC1=NC(C)N=C1
InChIInChI=1S/C7H11N3O/c1-3-7(11)10-6-4-8-5(2)9-6/h4-5H,3H2,1-2H3,(H,9,10,11)
InChIKeyGPSXWCNKMQUJKV-UHFFFAOYSA-N
XLogP0.34
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-3,5-dihydroimidazol-4-one
CID 57435862
N-(5-fluoro-2,5-dihydropyrimidin-4-yl)acetamide
CID 123329789
2,4-Dimethyl-1,4-dihydroimidazol-5-one
CID 11571792
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
N-(2-oxo-5H-pyrimidin-4-yl)butanamide
CID 57604302
2-ethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 69298206
2-Methyl-1,4,5,6-tetrahydro-1,3-diazepin-7-one
CID 89068417
N-(C,N-dimethylcarbonimidoyl)propanamide
CID 89227228
2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide
CID 89267792
ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 91191437
N-(C-ethyl-N-methylcarbonimidoyl)acetamide
CID 118527281
N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide
CID 134354446

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2H-imidazol-4-yl)propanamide?
The IUPAC name of N-(2-methyl-2H-imidazol-4-yl)propanamide (CID 89270195) is N-(2-methyl-2H-imidazol-4-yl)propanamide.
What is the SMILES notation for N-(2-methyl-2H-imidazol-4-yl)propanamide?
The canonical SMILES for N-(2-methyl-2H-imidazol-4-yl)propanamide is CCC(=O)NC1=NC(C)N=C1.
What is the InChIKey of N-(2-methyl-2H-imidazol-4-yl)propanamide?
The InChIKey is GPSXWCNKMQUJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-7(11)10-6-4-8-5(2)9-6/h4-5H,3H2,1-2H3,(H,9,10,11).
What are the key properties of N-(2-methyl-2H-imidazol-4-yl)propanamide?
N-(2-methyl-2H-imidazol-4-yl)propanamide has a molecular weight of 153.18 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2H-imidazol-4-yl)propanamide is sourced from PubChem (CID 89270195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).