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

C12H18N4O — CID 61296213

IUPAC1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one
SMILESCN(CCN1CCNC1=O)c1cccc(N)c1
InChIInChI=1S/C12H18N4O/c1-15(11-4-2-3-10(13)9-11)7-8-16-6-5-14-12(16)17/h2-4,9H,5-8,13H2,1H3,(H,14,17)
InChIKeyNBWWXRJPAFNTSQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.73
Rot. Bonds4

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

1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one (PubChem CID 61296213) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one
PubChem CID61296213
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one
SMILESCN(CCN1CCNC1=O)c1cccc(N)c1
InChIInChI=1S/C12H18N4O/c1-15(11-4-2-3-10(13)9-11)7-8-16-6-5-14-12(16)17/h2-4,9H,5-8,13H2,1H3,(H,14,17)
InChIKeyNBWWXRJPAFNTSQ-UHFFFAOYSA-N
XLogP0.73
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.73
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-methylanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one (CID 61296213) is 1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one is CN(CCN1CCNC1=O)c1cccc(N)c1.
What is the InChIKey of 1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one?
The InChIKey is NBWWXRJPAFNTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15(11-4-2-3-10(13)9-11)7-8-16-6-5-14-12(16)17/h2-4,9H,5-8,13H2,1H3,(H,14,17).
What are the key properties of 1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one?
1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.73, 4 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-methylanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 61296213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).