1-[3-(N-ethylanilino)propyl]imidazolidin-2-one

C14H21N3O — CID 112708178

IUPAC1-[3-(N-ethylanilino)propyl]imidazolidin-2-one
SMILESCCN(CCCN1CCNC1=O)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-2-16(13-7-4-3-5-8-13)10-6-11-17-12-9-15-14(17)18/h3-5,7-8H,2,6,9-12H2,1H3,(H,15,18)
InChIKeyBXCUURSHHLAKQD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.93
Rot. Bonds6

About 1-[3-(N-ethylanilino)propyl]imidazolidin-2-one

1-[3-(N-ethylanilino)propyl]imidazolidin-2-one (PubChem CID 112708178) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-(N-ethylanilino)propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(N-ethylanilino)propyl]imidazolidin-2-one
PubChem CID112708178
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[3-(N-ethylanilino)propyl]imidazolidin-2-one
SMILESCCN(CCCN1CCNC1=O)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-2-16(13-7-4-3-5-8-13)10-6-11-17-12-9-15-14(17)18/h3-5,7-8H,2,6,9-12H2,1H3,(H,15,18)
InChIKeyBXCUURSHHLAKQD-UHFFFAOYSA-N
XLogP1.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-ethylanilino)propyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(N-ethylanilino)propyl]imidazolidin-2-one (CID 112708178) is 1-[3-(N-ethylanilino)propyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(N-ethylanilino)propyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(N-ethylanilino)propyl]imidazolidin-2-one is CCN(CCCN1CCNC1=O)c1ccccc1.
What is the InChIKey of 1-[3-(N-ethylanilino)propyl]imidazolidin-2-one?
The InChIKey is BXCUURSHHLAKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-16(13-7-4-3-5-8-13)10-6-11-17-12-9-15-14(17)18/h3-5,7-8H,2,6,9-12H2,1H3,(H,15,18).
What are the key properties of 1-[3-(N-ethylanilino)propyl]imidazolidin-2-one?
1-[3-(N-ethylanilino)propyl]imidazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-ethylanilino)propyl]imidazolidin-2-one is sourced from PubChem (CID 112708178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).