N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide

C13H24N4O — CID 66150955

IUPACN-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
SMILESCCCNCc1cncn1CCC(=O)NCCC
InChIInChI=1S/C13H24N4O/c1-3-6-14-9-12-10-15-11-17(12)8-5-13(18)16-7-4-2/h10-11,14H,3-9H2,1-2H3,(H,16,18)
InChIKeyHIEOAZJNQHTKLJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.30
Rot. Bonds9

About N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide

N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide (PubChem CID 66150955) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
PubChem CID66150955
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
SMILESCCCNCc1cncn1CCC(=O)NCCC
InChIInChI=1S/C13H24N4O/c1-3-6-14-9-12-10-15-11-17(12)8-5-13(18)16-7-4-2/h10-11,14H,3-9H2,1-2H3,(H,16,18)
InChIKeyHIEOAZJNQHTKLJ-UHFFFAOYSA-N
XLogP1.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150619
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
CID 66135289
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 104766858
1,1-dimethyl-3-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]urea
CID 83116947
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide
CID 66149485
3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150409
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide
CID 114719413

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide?
The IUPAC name of N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide (CID 66150955) is N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide?
The canonical SMILES for N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide is CCCNCc1cncn1CCC(=O)NCCC.
What is the InChIKey of N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide?
The InChIKey is HIEOAZJNQHTKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-6-14-9-12-10-15-11-17(12)8-5-13(18)16-7-4-2/h10-11,14H,3-9H2,1-2H3,(H,16,18).
What are the key properties of N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide?
N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 66150955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).