1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one

C19H24N6O — CID 58264426

IUPAC1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
SMILESNc1ncc(CCCc2cn(CC(=O)CCCc3ccccc3)nn2)[nH]1
InChIInChI=1S/C19H24N6O/c20-19-21-12-16(22-19)9-5-10-17-13-25(24-23-17)14-18(26)11-4-8-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H3,20,21,22)
InChIKeyLJTIFKJAFJIVKO-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.35
Rot. Bonds10

About 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one

1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one (PubChem CID 58264426) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one.

Molecular Properties

Compound Name1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
PubChem CID58264426
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
SMILESNc1ncc(CCCc2cn(CC(=O)CCCc3ccccc3)nn2)[nH]1
InChIInChI=1S/C19H24N6O/c20-19-21-12-16(22-19)9-5-10-17-13-25(24-23-17)14-18(26)11-4-8-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H3,20,21,22)
InChIKeyLJTIFKJAFJIVKO-UHFFFAOYSA-N
XLogP2.35
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one
CID 58264369
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one;hydrochloride
CID 169425637
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
CID 143882920
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-propan-2-ylacetamide
CID 52946860
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 52942112
5-(5-phenylpentyl)-1H-imidazol-2-amine
CID 46848173
5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride
CID 67064307
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
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;hydrochloride
CID 67064244
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-4-(4-methoxyphenyl)butan-2-one;1-azido-4-(4-methoxyphenyl)butan-2-one;tert-butyl 2-amino-4-pent-4-ynylimidazole-1-carboxylate;methane;hydrochloride
CID 159058901
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride
CID 67064264

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one?
The IUPAC name of 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one (CID 58264426) is 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one.
What is the SMILES notation for 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one?
The canonical SMILES for 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one is Nc1ncc(CCCc2cn(CC(=O)CCCc3ccccc3)nn2)[nH]1.
What is the InChIKey of 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one?
The InChIKey is LJTIFKJAFJIVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c20-19-21-12-16(22-19)9-5-10-17-13-25(24-23-17)14-18(26)11-4-8-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H3,20,21,22).
What are the key properties of 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one?
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one is sourced from PubChem (CID 58264426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).