1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one

C18H19NO — CID 91699589

IUPAC1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one
SMILESC/C(=N\C(C)(C)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO/c1-14(17(20)15-10-6-4-7-11-15)19-18(2,3)16-12-8-5-9-13-16/h4-13H,1-3H3/b19-14+
InChIKeyGERVEJVSEQHXJC-XMHGGMMESA-N
MW265.36 g/mol
LogP4.27
Rot. Bonds4

About 1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one

1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one (PubChem CID 91699589) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one.

Molecular Properties

Compound Name1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one
PubChem CID91699589
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one
SMILESC/C(=N\C(C)(C)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO/c1-14(17(20)15-10-6-4-7-11-15)19-18(2,3)16-12-8-5-9-13-16/h4-13H,1-3H3/b19-14+
InChIKeyGERVEJVSEQHXJC-XMHGGMMESA-N
XLogP4.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one?
The IUPAC name of 1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one (CID 91699589) is 1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one.
What is the SMILES notation for 1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one?
The canonical SMILES for 1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one is C/C(=N\C(C)(C)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one?
The InChIKey is GERVEJVSEQHXJC-XMHGGMMESA-N. The full InChI is InChI=1S/C18H19NO/c1-14(17(20)15-10-6-4-7-11-15)19-18(2,3)16-12-8-5-9-13-16/h4-13H,1-3H3/b19-14+.
What are the key properties of 1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one?
1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-phenylpropan-2-ylimino)propan-1-one is sourced from PubChem (CID 91699589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).