5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one

C17H23N3O — CID 116570854

IUPAC5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-2-11-20-12-10-19-17(20)13-15(21)8-9-16(18)14-6-4-3-5-7-14/h3-7,10,12,16H,2,8-9,11,13,18H2,1H3
InChIKeyIWHIVNHULIRPGA-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.88
Rot. Bonds8

About 5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one

5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one (PubChem CID 116570854) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one
PubChem CID116570854
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-2-11-20-12-10-19-17(20)13-15(21)8-9-16(18)14-6-4-3-5-7-14/h3-7,10,12,16H,2,8-9,11,13,18H2,1H3
InChIKeyIWHIVNHULIRPGA-UHFFFAOYSA-N
XLogP2.88
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
CID 116582877
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
1-(2-methylpropylsulfanyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744194
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The IUPAC name of 5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one (CID 116570854) is 5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The canonical SMILES for 5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one is CCCn1ccnc1CC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The InChIKey is IWHIVNHULIRPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-11-20-12-10-19-17(20)13-15(21)8-9-16(18)14-6-4-3-5-7-14/h3-7,10,12,16H,2,8-9,11,13,18H2,1H3.
What are the key properties of 5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one?
5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 116570854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).