1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one

C14H22N4O — CID 63230823

IUPAC1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one
SMILESCCCN(CCN1CCNC1=O)c1cccc(N)c1
InChIInChI=1S/C14H22N4O/c1-2-7-17(13-5-3-4-12(15)11-13)9-10-18-8-6-16-14(18)19/h3-5,11H,2,6-10,15H2,1H3,(H,16,19)
InChIKeyDPMZGWNKSBUJED-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.51
Rot. Bonds6

About 1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one

1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one (PubChem CID 63230823) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one
PubChem CID63230823
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one
SMILESCCCN(CCN1CCNC1=O)c1cccc(N)c1
InChIInChI=1S/C14H22N4O/c1-2-7-17(13-5-3-4-12(15)11-13)9-10-18-8-6-16-14(18)19/h3-5,11H,2,6-10,15H2,1H3,(H,16,19)
InChIKeyDPMZGWNKSBUJED-UHFFFAOYSA-N
XLogP1.51
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one (CID 63230823) is 1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one is CCCN(CCN1CCNC1=O)c1cccc(N)c1.
What is the InChIKey of 1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one?
The InChIKey is DPMZGWNKSBUJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-7-17(13-5-3-4-12(15)11-13)9-10-18-8-6-16-14(18)19/h3-5,11H,2,6-10,15H2,1H3,(H,16,19).
What are the key properties of 1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one?
1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-N-propylanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 63230823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).