2-(5-formylimidazol-1-yl)-N-propylpropanamide

C10H15N3O2 — CID 66147212

IUPAC2-(5-formylimidazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cncc1C=O
InChIInChI=1S/C10H15N3O2/c1-3-4-12-10(15)8(2)13-7-11-5-9(13)6-14/h5-8H,3-4H2,1-2H3,(H,12,15)
InChIKeyAHJWWGLTIBUTHL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.78
Rot. Bonds5

About 2-(5-formylimidazol-1-yl)-N-propylpropanamide

2-(5-formylimidazol-1-yl)-N-propylpropanamide (PubChem CID 66147212) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(5-formylimidazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(5-formylimidazol-1-yl)-N-propylpropanamide
PubChem CID66147212
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(5-formylimidazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cncc1C=O
InChIInChI=1S/C10H15N3O2/c1-3-4-12-10(15)8(2)13-7-11-5-9(13)6-14/h5-8H,3-4H2,1-2H3,(H,12,15)
InChIKeyAHJWWGLTIBUTHL-UHFFFAOYSA-N
XLogP0.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide
CID 66151132
3-(3-methylpentan-2-yl)imidazole-4-carbaldehyde
CID 66146373
2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide
CID 114719612
2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide
CID 19535452
(4-cyanophenyl) 2-(5-formylimidazol-1-yl)propanoate
CID 87541997
2-formamido-N-propylpropanamide
CID 64990441
3-[1-(4-chlorophenyl)ethyl]imidazole-4-carbaldehyde
CID 57092167
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide
CID 66163621
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159

Frequently Asked Questions

What is the IUPAC name of 2-(5-formylimidazol-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(5-formylimidazol-1-yl)-N-propylpropanamide (CID 66147212) is 2-(5-formylimidazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(5-formylimidazol-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(5-formylimidazol-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1cncc1C=O.
What is the InChIKey of 2-(5-formylimidazol-1-yl)-N-propylpropanamide?
The InChIKey is AHJWWGLTIBUTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-12-10(15)8(2)13-7-11-5-9(13)6-14/h5-8H,3-4H2,1-2H3,(H,12,15).
What are the key properties of 2-(5-formylimidazol-1-yl)-N-propylpropanamide?
2-(5-formylimidazol-1-yl)-N-propylpropanamide has a molecular weight of 209.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylimidazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 66147212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).