1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one

C14H20N4O — CID 18704726

IUPAC1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one
SMILESCN(C)CCN1CCN(/N=C/c2ccccc2)C1=O
InChIInChI=1S/C14H20N4O/c1-16(2)8-9-17-10-11-18(14(17)19)15-12-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/b15-12+
InChIKeyXNEGPDWEPCGSAS-NTCAYCPXSA-N
MW260.34 g/mol
LogP1.32
Rot. Bonds5

About 1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one

1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one (PubChem CID 18704726) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one
PubChem CID18704726
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one
SMILESCN(C)CCN1CCN(/N=C/c2ccccc2)C1=O
InChIInChI=1S/C14H20N4O/c1-16(2)8-9-17-10-11-18(14(17)19)15-12-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/b15-12+
InChIKeyXNEGPDWEPCGSAS-NTCAYCPXSA-N
XLogP1.32
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-4-{[(E)-phenylmethylidene]amino}tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CID 9632641
3,4-dimethyl-1-{[(E)-phenylmethylidene]amino}tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CID 9633658
3-[(E)-(4-fluorophenyl)methylideneamino]-2-oxoimidazolidine-1-carbonyl chloride
CID 20290528
1-[(E)-(2-fluorophenyl)methylideneamino]imidazolidin-2-one
CID 20290536
1-[(E)-(4-fluorophenyl)methylideneamino]imidazolidin-2-one
CID 20290586
3-[(E)-(2-fluorophenyl)methylideneamino]-2-oxoimidazolidine-1-carbonyl chloride
CID 20290594
3-[(2-Fluorophenyl)methylideneamino]-2-oxoimidazolidine-1-carbonyl chloride
CID 53747598
3-[(4-Fluorophenyl)methylideneamino]-2-oxoimidazolidine-1-carbonyl chloride
CID 53818633
1-[(4-Fluorophenyl)methylideneamino]imidazolidin-2-one
CID 54179816
1-{[(2-Fluorophenyl)methylidene]amino}imidazolidin-2-one
CID 54370262
1-[(Z)-benzylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 70171682
1-[(Z)-benzylideneamino]-3-(4-iodobutyl)imidazolidine-2,4-dione
CID 70173090

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one (CID 18704726) is 1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one is CN(C)CCN1CCN(/N=C/c2ccccc2)C1=O.
What is the InChIKey of 1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one?
The InChIKey is XNEGPDWEPCGSAS-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H20N4O/c1-16(2)8-9-17-10-11-18(14(17)19)15-12-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/b15-12+.
What are the key properties of 1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one?
1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-benzylideneamino]-3-[2-(dimethylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 18704726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).