3-benzylimino-1-(4-methylphenyl)butan-1-one

C18H19NO — CID 7307989

IUPAC3-benzylimino-1-(4-methylphenyl)butan-1-one
SMILESC/C(CC(=O)c1ccc(C)cc1)=N\Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-14-8-10-17(11-9-14)18(20)12-15(2)19-13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3/b19-15+
InChIKeyIUFZGZHRHNSBHL-XDJHFCHBSA-N
MW265.36 g/mol
LogP4.23
Rot. Bonds5

About 3-benzylimino-1-(4-methylphenyl)butan-1-one

3-benzylimino-1-(4-methylphenyl)butan-1-one (PubChem CID 7307989) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-benzylimino-1-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name3-benzylimino-1-(4-methylphenyl)butan-1-one
PubChem CID7307989
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-benzylimino-1-(4-methylphenyl)butan-1-one
SMILESC/C(CC(=O)c1ccc(C)cc1)=N\Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-14-8-10-17(11-9-14)18(20)12-15(2)19-13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3/b19-15+
InChIKeyIUFZGZHRHNSBHL-XDJHFCHBSA-N
XLogP4.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyliminobutanoic acid
CID 23175618
3-butylimino-1-(4-methylphenyl)butan-1-one
CID 88589780
3-(2-aminoethylimino)-1-phenylbutan-1-one
CID 71353116
benzamido 3-benzyliminobutanoate
CID 7457656
N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide
CID 155542579
N-(N-acetyl-N'-benzylcarbamimidoyl)acetamide
CID 121007598
4,4-difluoro-1-(4-methylphenyl)-3-phenylbut-3-en-1-one
CID 132577802
1-(4-methylphenyl)-3-phenylselanylpropan-1-one
CID 23246415
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
N-[N-benzyl-C-(1-phenylethenyl)carbonimidoyl]acetamide;1-chloro-4-methylbenzene
CID 143534895
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
(3E)-3-methoxyimino-1-phenylbutan-1-one
CID 14615206

Frequently Asked Questions

What is the IUPAC name of 3-benzylimino-1-(4-methylphenyl)butan-1-one?
The IUPAC name of 3-benzylimino-1-(4-methylphenyl)butan-1-one (CID 7307989) is 3-benzylimino-1-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 3-benzylimino-1-(4-methylphenyl)butan-1-one?
The canonical SMILES for 3-benzylimino-1-(4-methylphenyl)butan-1-one is C/C(CC(=O)c1ccc(C)cc1)=N\Cc1ccccc1.
What is the InChIKey of 3-benzylimino-1-(4-methylphenyl)butan-1-one?
The InChIKey is IUFZGZHRHNSBHL-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-8-10-17(11-9-14)18(20)12-15(2)19-13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3/b19-15+.
What are the key properties of 3-benzylimino-1-(4-methylphenyl)butan-1-one?
3-benzylimino-1-(4-methylphenyl)butan-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylimino-1-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 7307989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).