4-imino-5-(1-phenylethyl)imidazolidin-2-one

C11H13N3O — CID 138389193

IUPAC4-imino-5-(1-phenylethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1C(C)c1ccccc1
InChIInChI=1S/C11H13N3O/c1-7(8-5-3-2-4-6-8)9-10(12)14-11(15)13-9/h2-7,9H,1H3,(H3,12,13,14,15)
InChIKeyMNLDBZCMQZWPTR-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.45
Rot. Bonds2

About 4-imino-5-(1-phenylethyl)imidazolidin-2-one

4-imino-5-(1-phenylethyl)imidazolidin-2-one (PubChem CID 138389193) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-imino-5-(1-phenylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-(1-phenylethyl)imidazolidin-2-one
PubChem CID138389193
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-imino-5-(1-phenylethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1C(C)c1ccccc1
InChIInChI=1S/C11H13N3O/c1-7(8-5-3-2-4-6-8)9-10(12)14-11(15)13-9/h2-7,9H,1H3,(H3,12,13,14,15)
InChIKeyMNLDBZCMQZWPTR-UHFFFAOYSA-N
XLogP1.45
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one
CID 138388566
4-imino-5-(1-phenylethyl)-1-prop-2-enylimidazolidin-2-one
CID 138390423
5-(2-amino-1-phenylethyl)imidazolidine-2,4-dione
CID 69398064
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337
5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 101057113
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
(3R,6R)-3-(2-methylsulfanylethyl)-6-[(1R)-1-phenylethyl]piperazine-2,5-dione
CID 57496729
1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one
CID 24752970
5-[phenyl-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 2042273
4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one
CID 138391344
4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one
CID 176750424
[(1S)-1-cyclopentylethyl]benzene
CID 102346711

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-(1-phenylethyl)imidazolidin-2-one?
The IUPAC name of 4-imino-5-(1-phenylethyl)imidazolidin-2-one (CID 138389193) is 4-imino-5-(1-phenylethyl)imidazolidin-2-one.
What is the SMILES notation for 4-imino-5-(1-phenylethyl)imidazolidin-2-one?
The canonical SMILES for 4-imino-5-(1-phenylethyl)imidazolidin-2-one is [H]/N=C1\NC(=O)NC1C(C)c1ccccc1.
What is the InChIKey of 4-imino-5-(1-phenylethyl)imidazolidin-2-one?
The InChIKey is MNLDBZCMQZWPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(8-5-3-2-4-6-8)9-10(12)14-11(15)13-9/h2-7,9H,1H3,(H3,12,13,14,15).
What are the key properties of 4-imino-5-(1-phenylethyl)imidazolidin-2-one?
4-imino-5-(1-phenylethyl)imidazolidin-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(1-phenylethyl)imidazolidin-2-one is sourced from PubChem (CID 138389193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).