1-(3-phenylpropyl)imidazolidin-2-one

C12H16N2O — CID 46230907

IUPAC1-(3-phenylpropyl)imidazolidin-2-one
SMILESO=C1NCCN1CCCc1ccccc1
InChIInChI=1S/C12H16N2O/c15-12-13-8-10-14(12)9-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,13,15)
InChIKeyMBQUPYSDWZQBBV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds4

About 1-(3-phenylpropyl)imidazolidin-2-one

1-(3-phenylpropyl)imidazolidin-2-one (PubChem CID 46230907) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-phenylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-phenylpropyl)imidazolidin-2-one
PubChem CID46230907
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-phenylpropyl)imidazolidin-2-one
SMILESO=C1NCCN1CCCc1ccccc1
InChIInChI=1S/C12H16N2O/c15-12-13-8-10-14(12)9-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,13,15)
InChIKeyMBQUPYSDWZQBBV-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
1-Benzylimidazolidin-2-one
CID 231403
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
N-(tert-butyl)-N'-phenethylurea
CID 306674
N-benzylpyrrolidine-1-carboxamide
CID 6459037
4-Phenylimidazolidin-2-one
CID 322644
CID 31899116
CID 31899116

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)imidazolidin-2-one?
The IUPAC name of 1-(3-phenylpropyl)imidazolidin-2-one (CID 46230907) is 1-(3-phenylpropyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-phenylpropyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-phenylpropyl)imidazolidin-2-one is O=C1NCCN1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)imidazolidin-2-one?
The InChIKey is MBQUPYSDWZQBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-13-8-10-14(12)9-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,13,15).
What are the key properties of 1-(3-phenylpropyl)imidazolidin-2-one?
1-(3-phenylpropyl)imidazolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)imidazolidin-2-one is sourced from PubChem (CID 46230907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).