3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one

C15H23N3O — CID 83246148

IUPAC3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one
SMILESCN(C)CCCCN1CNC(c2ccccc2)C1=O
InChIInChI=1S/C15H23N3O/c1-17(2)10-6-7-11-18-12-16-14(15(18)19)13-8-4-3-5-9-13/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3
InChIKeyDXRRUPODEXWQEZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.46
Rot. Bonds6

About 3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one

3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one (PubChem CID 83246148) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one
PubChem CID83246148
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one
SMILESCN(C)CCCCN1CNC(c2ccccc2)C1=O
InChIInChI=1S/C15H23N3O/c1-17(2)10-6-7-11-18-12-16-14(15(18)19)13-8-4-3-5-9-13/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3
InChIKeyDXRRUPODEXWQEZ-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethotoin
CID 3292
Mephenytoin
CID 4060
Nirvanol
CID 91480
(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
CID 640021
Mephenytoin, (+)-
CID 107921
Phenylhydantoin
CID 1002
5-Phenyl-5-propylimidazolidine-2,4-dione
CID 219572
(+)-Nirvanol
CID 6540813
5-Methyl-5-phenylhydantoin
CID 93043
Doxenitoin
CID 18622
Methetoin
CID 21908
1-Benzylimidazolidine-2,4,5-trione
CID 562619

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one (CID 83246148) is 3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one is CN(C)CCCCN1CNC(c2ccccc2)C1=O.
What is the InChIKey of 3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one?
The InChIKey is DXRRUPODEXWQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)10-6-7-11-18-12-16-14(15(18)19)13-8-4-3-5-9-13/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one?
3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one has a molecular weight of 261.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83246148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).