N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide

C22H28N6O — CID 53360818

IUPACN-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CCCCCc2cn(C/C(C)=C/c3ccccc3)nn2)[nH]1
InChIInChI=1S/C22H28N6O/c1-17(13-19-9-5-3-6-10-19)15-28-16-21(26-27-28)12-8-4-7-11-20-14-23-22(25-20)24-18(2)29/h3,5-6,9-10,13-14,16H,4,7-8,11-12,15H2,1-2H3,(H2,23,24,25,29)/b17-13+
InChIKeyZKXMFFCYLKMWRB-GHRIWEEISA-N
MW392.51 g/mol
LogP4.02
Rot. Bonds10

About N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide

N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide (PubChem CID 53360818) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide
PubChem CID53360818
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CCCCCc2cn(C/C(C)=C/c3ccccc3)nn2)[nH]1
InChIInChI=1S/C22H28N6O/c1-17(13-19-9-5-3-6-10-19)15-28-16-21(26-27-28)12-8-4-7-11-20-14-23-22(25-20)24-18(2)29/h3,5-6,9-10,13-14,16H,4,7-8,11-12,15H2,1-2H3,(H2,23,24,25,29)/b17-13+
InChIKeyZKXMFFCYLKMWRB-GHRIWEEISA-N
XLogP4.02
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
CID 53359804
4-[(E)-3-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-2-methylprop-1-enyl]benzaldehyde
CID 53359660
5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine;hydrochloride
CID 53359797
4-(4-fluorophenyl)-5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
CID 56838715
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
CID 143882920
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
CID 58264426
2-(4-pentyltriazol-1-yl)-1-phenylethanone
CID 139241367
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-propan-2-ylacetamide
CID 52946860
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one
CID 58264369
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride
CID 67064264
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one;hydrochloride
CID 169425637

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide (CID 53360818) is N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide is CC(=O)Nc1ncc(CCCCCc2cn(C/C(C)=C/c3ccccc3)nn2)[nH]1.
What is the InChIKey of N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide?
The InChIKey is ZKXMFFCYLKMWRB-GHRIWEEISA-N. The full InChI is InChI=1S/C22H28N6O/c1-17(13-19-9-5-3-6-10-19)15-28-16-21(26-27-28)12-8-4-7-11-20-14-23-22(25-20)24-18(2)29/h3,5-6,9-10,13-14,16H,4,7-8,11-12,15H2,1-2H3,(H2,23,24,25,29)/b17-13+.
What are the key properties of N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide?
N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide has a molecular weight of 392.51 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[1-[(E)-2-methyl-3-phenylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 53360818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).