2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one

C18H18N2O — CID 14265710

IUPAC2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)=C1NCCN1)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-17(15-9-5-2-6-10-15)16(18-19-11-12-20-18)13-14-7-3-1-4-8-14/h1-10,19-20H,11-13H2
InChIKeyLPZWGZUKGDROBZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.52
Rot. Bonds4

About 2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one

2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one (PubChem CID 14265710) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one
PubChem CID14265710
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)=C1NCCN1)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-17(15-9-5-2-6-10-15)16(18-19-11-12-20-18)13-14-7-3-1-4-8-14/h1-10,19-20H,11-13H2
InChIKeyLPZWGZUKGDROBZ-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one?
The IUPAC name of 2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one (CID 14265710) is 2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one.
What is the SMILES notation for 2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one?
The canonical SMILES for 2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one is O=C(C(Cc1ccccc1)=C1NCCN1)c1ccccc1.
What is the InChIKey of 2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one?
The InChIKey is LPZWGZUKGDROBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-17(15-9-5-2-6-10-15)16(18-19-11-12-20-18)13-14-7-3-1-4-8-14/h1-10,19-20H,11-13H2.
What are the key properties of 2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one?
2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one has a molecular weight of 278.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-2-ylidene-1,3-diphenylpropan-1-one is sourced from PubChem (CID 14265710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).