4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one

C15H19N3O — CID 116552958

IUPAC4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
SMILESCCn1ccnc1CC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-2-18-9-8-17-15(18)11-13(19)10-14(16)12-6-4-3-5-7-12/h3-9,14H,2,10-11,16H2,1H3
InChIKeyHRHGVPJTVGHXNB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.10
Rot. Bonds6

About 4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one

4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one (PubChem CID 116552958) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
PubChem CID116552958
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
SMILESCCn1ccnc1CC(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-2-18-9-8-17-15(18)11-13(19)10-14(16)12-6-4-3-5-7-12/h3-9,14H,2,10-11,16H2,1H3
InChIKeyHRHGVPJTVGHXNB-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one?
The IUPAC name of 4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one (CID 116552958) is 4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one?
The canonical SMILES for 4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one is CCn1ccnc1CC(=O)CC(N)c1ccccc1.
What is the InChIKey of 4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one?
The InChIKey is HRHGVPJTVGHXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18-9-8-17-15(18)11-13(19)10-14(16)12-6-4-3-5-7-12/h3-9,14H,2,10-11,16H2,1H3.
What are the key properties of 4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one?
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 116552958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).