N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide

C12H22N4O — CID 55048710

IUPACN-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
SMILESCCCNCc1nccn1CC(=O)NCCC
InChIInChI=1S/C12H22N4O/c1-3-5-13-9-11-14-7-8-16(11)10-12(17)15-6-4-2/h7-8,13H,3-6,9-10H2,1-2H3,(H,15,17)
InChIKeyXETUJUUYQPVUDU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds8

About N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide

N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide (PubChem CID 55048710) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
PubChem CID55048710
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
SMILESCCCNCc1nccn1CC(=O)NCCC
InChIInChI=1S/C12H22N4O/c1-3-5-13-9-11-14-7-8-16(11)10-12(17)15-6-4-2/h7-8,13H,3-6,9-10H2,1-2H3,(H,15,17)
InChIKeyXETUJUUYQPVUDU-UHFFFAOYSA-N
XLogP0.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 62222646
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide
CID 62221110
N-(4-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62221270
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-(2-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62223923
N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62221444
N-benzyl-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223549
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(2-cyanoethyl)acetamide
CID 62223247

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide?
The IUPAC name of N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide (CID 55048710) is N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide is CCCNCc1nccn1CC(=O)NCCC.
What is the InChIKey of N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide?
The InChIKey is XETUJUUYQPVUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-13-9-11-14-7-8-16(11)10-12(17)15-6-4-2/h7-8,13H,3-6,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide?
N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 55048710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).