[2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone

C21H17NO — CID 5097499

IUPAC[2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2/N=C/c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c1-16-11-13-18(14-12-16)21(23)19-9-5-6-10-20(19)22-15-17-7-3-2-4-8-17/h2-15H,1H3/b22-15+
InChIKeyDPPGWAZUVKVBSQ-PXLXIMEGSA-N
MW299.37 g/mol
LogP4.98
Rot. Bonds4

About [2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone

[2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone (PubChem CID 5097499) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is [2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone
PubChem CID5097499
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name[2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2/N=C/c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c1-16-11-13-18(14-12-16)21(23)19-9-5-6-10-20(19)22-15-17-7-3-2-4-8-17/h2-15H,1H3/b22-15+
InChIKeyDPPGWAZUVKVBSQ-PXLXIMEGSA-N
XLogP4.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.98
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

[2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone
CID 23962704
2-(benzylideneamino)benzamide
CID 794805
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione
CID 141258297
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
[5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone
CID 159075066
N-[(4-methylphenyl)methylidene]benzamide
CID 4606839
2-methylbenzene-1,3-dicarboxylic acid;(4-methylphenyl)-phenylmethanone
CID 174815281
N'-(2-acetylphenyl)methanimidamide;toluene
CID 142061937

Frequently Asked Questions

What is the IUPAC name of [2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone (CID 5097499) is [2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccccc2/N=C/c2ccccc2)cc1.
What is the InChIKey of [2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone?
The InChIKey is DPPGWAZUVKVBSQ-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H17NO/c1-16-11-13-18(14-12-16)21(23)19-9-5-6-10-20(19)22-15-17-7-3-2-4-8-17/h2-15H,1H3/b22-15+.
What are the key properties of [2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone?
[2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone has a molecular weight of 299.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 5097499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).