2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide

C15H20N4O — CID 43221383

IUPAC2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H20N4O/c1-2-7-18-15(20)11-17-10-13-3-5-14(6-4-13)19-9-8-16-12-19/h3-6,8-9,12,17H,2,7,10-11H2,1H3,(H,18,20)
InChIKeyLPGQIYWGLJIXOC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.49
Rot. Bonds7

About 2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide

2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide (PubChem CID 43221383) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
PubChem CID43221383
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H20N4O/c1-2-7-18-15(20)11-17-10-13-3-5-14(6-4-13)19-9-8-16-12-19/h3-6,8-9,12,17H,2,7,10-11H2,1H3,(H,18,20)
InChIKeyLPGQIYWGLJIXOC-UHFFFAOYSA-N
XLogP1.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781
2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide
CID 106235358
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295

Frequently Asked Questions

What is the IUPAC name of 2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide (CID 43221383) is 2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide?
The InChIKey is LPGQIYWGLJIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-7-18-15(20)11-17-10-13-3-5-14(6-4-13)19-9-8-16-12-19/h3-6,8-9,12,17H,2,7,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide?
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide has a molecular weight of 272.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide is sourced from PubChem (CID 43221383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).