3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one

C15H19N3O — CID 116612792

IUPAC3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one
SMILESCCn1ccnc1C(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C15H19N3O/c1-3-18-9-8-17-15(18)14(19)10-11(2)12-4-6-13(16)7-5-12/h4-9,11H,3,10,16H2,1-2H3
InChIKeyNMVXGXDJEOSDAC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.86
Rot. Bonds5

About 3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one

3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one (PubChem CID 116612792) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one
PubChem CID116612792
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one
SMILESCCn1ccnc1C(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C15H19N3O/c1-3-18-9-8-17-15(18)14(19)10-11(2)12-4-6-13(16)7-5-12/h4-9,11H,3,10,16H2,1-2H3
InChIKeyNMVXGXDJEOSDAC-UHFFFAOYSA-N
XLogP2.86
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.86
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

1-(1-ethylimidazol-2-yl)-3,5,5-trimethylhexan-1-one
CID 114973012
1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one
CID 105101248
3-amino-1-(1-ethylimidazol-2-yl)-5,5-dimethylhexan-1-one
CID 116614691
5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116607603
(3S)-3-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)butan-1-one
CID 122382823
3-(4-aminophenyl)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116612661
1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
CID 65141818
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone
CID 65360718
3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 116605540
3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 116612692

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one (CID 116612792) is 3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one is CCn1ccnc1C(=O)CC(C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one?
The InChIKey is NMVXGXDJEOSDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-18-9-8-17-15(18)14(19)10-11(2)12-4-6-13(16)7-5-12/h4-9,11H,3,10,16H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one?
3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.86, 5 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-ethylimidazol-2-yl)butan-1-one is sourced from PubChem (CID 116612792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).