N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen

C7H13N3O — CID 177063999

IUPACN-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
SMILESCCNC(=O)Cn1ccnc1.[H][H]
InChIInChI=1S/C7H11N3O.H2/c1-2-9-7(11)5-10-4-3-8-6-10;/h3-4,6H,2,5H2,1H3,(H,9,11);1H
InChIKeyHVNJEIABVKZVDB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.27
Rot. Bonds3

About N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen

N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen (PubChem CID 177063999) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
PubChem CID177063999
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
SMILESCCNC(=O)Cn1ccnc1.[H][H]
InChIInChI=1S/C7H11N3O.H2/c1-2-9-7(11)5-10-4-3-8-6-10;/h3-4,6H,2,5H2,1H3,(H,9,11);1H
InChIKeyHVNJEIABVKZVDB-UHFFFAOYSA-N
XLogP0.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 62324787
2-imidazol-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 139978601
imidazol-1-ylmethylcarbamic acid
CID 175455215
2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 36795698
N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
CID 43566693
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
2-imidazol-1-yl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17410061
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
CID 61325108
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
2-imidazol-1-yl-N-[4-(2-methylpropyl)phenyl]acetamide
CID 134220505

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen?
The IUPAC name of N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen (CID 177063999) is N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen.
What is the SMILES notation for N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen?
The canonical SMILES for N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen is CCNC(=O)Cn1ccnc1.[H][H].
What is the InChIKey of N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen?
The InChIKey is HVNJEIABVKZVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.H2/c1-2-9-7(11)5-10-4-3-8-6-10;/h3-4,6H,2,5H2,1H3,(H,9,11);1H.
What are the key properties of N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen?
N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen has a molecular weight of 155.20 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen is sourced from PubChem (CID 177063999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).