1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone

C14H17N3O — CID 104613159

IUPAC1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone
SMILESCCCc1nccn1-c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C14H17N3O/c1-3-4-14-16-7-8-17(14)11-5-6-13(15)12(9-11)10(2)18/h5-9H,3-4,15H2,1-2H3
InChIKeyQNOYNXGUUXFXSL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.61
Rot. Bonds4

About 1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone

1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone (PubChem CID 104613159) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone
PubChem CID104613159
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone
SMILESCCCc1nccn1-c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C14H17N3O/c1-3-4-14-16-7-8-17(14)11-5-6-13(15)12(9-11)10(2)18/h5-9H,3-4,15H2,1-2H3
InChIKeyQNOYNXGUUXFXSL-UHFFFAOYSA-N
XLogP2.61
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(2-ethylimidazol-1-yl)benzoic acid
CID 54979963
1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone
CID 114058503
(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine
CID 114066424
1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine
CID 79170583
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole
CID 107086151
1-[3-(chloromethyl)phenyl]-2-propylimidazole
CID 112594438
5-amino-3-chloro-2-(2-propylimidazol-1-yl)benzoic acid
CID 107197117
3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 142974599
5-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114892684
N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107930079
4-[2-(2-aminoethyl)imidazol-1-yl]pyridine-2-carboxamide
CID 55071243
2-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 116798084

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone (CID 104613159) is 1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone is CCCc1nccn1-c1ccc(N)c(C(C)=O)c1.
What is the InChIKey of 1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone?
The InChIKey is QNOYNXGUUXFXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-4-14-16-7-8-17(14)11-5-6-13(15)12(9-11)10(2)18/h5-9H,3-4,15H2,1-2H3.
What are the key properties of 1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone?
1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone has a molecular weight of 243.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 104613159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).