3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one

C15H19N3O — CID 116605540

IUPAC3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one
SMILESCCCn1ccnc1C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H19N3O/c1-2-10-18-11-9-17-15(18)14(19)8-5-12-3-6-13(16)7-4-12/h3-4,6-7,9,11H,2,5,8,10,16H2,1H3
InChIKeyOQLVFXBRXYJTHK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.69
Rot. Bonds6

About 3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one

3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one (PubChem CID 116605540) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one
PubChem CID116605540
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one
SMILESCCCn1ccnc1C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H19N3O/c1-2-10-18-11-9-17-15(18)14(19)8-5-12-3-6-13(16)7-4-12/h3-4,6-7,9,11H,2,5,8,10,16H2,1H3
InChIKeyOQLVFXBRXYJTHK-UHFFFAOYSA-N
XLogP2.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone
CID 116577736
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100680
2-(4-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanone
CID 63977114
1-(1-propylimidazol-2-yl)heptan-1-one
CID 114972716
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
CID 106677480
1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
CID 65129636
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
3-(3-aminophenyl)-1-(1-methylimidazol-2-yl)propan-1-one
CID 82474092
3-(4-aminophenyl)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 116605383

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one (CID 116605540) is 3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one is CCCn1ccnc1C(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one?
The InChIKey is OQLVFXBRXYJTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-10-18-11-9-17-15(18)14(19)8-5-12-3-6-13(16)7-4-12/h3-4,6-7,9,11H,2,5,8,10,16H2,1H3.
What are the key properties of 3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one?
3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 116605540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).