N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine

C16H16N2 — CID 139968797

IUPACN-[2-(benzenecarboximidoyl)phenyl]propan-2-imine
SMILES[H]/N=C(\c1ccccc1)c1ccccc1N=C(C)C
InChIInChI=1S/C16H16N2/c1-12(2)18-15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h3-11,17H,1-2H3/b17-16+
InChIKeyAHKYRNOLLBHPRT-WUKNDPDISA-N
MW236.32 g/mol
LogP4.22
Rot. Bonds3

About N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine

N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine (PubChem CID 139968797) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine.

Molecular Properties

Compound NameN-[2-(benzenecarboximidoyl)phenyl]propan-2-imine
PubChem CID139968797
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC NameN-[2-(benzenecarboximidoyl)phenyl]propan-2-imine
SMILES[H]/N=C(\c1ccccc1)c1ccccc1N=C(C)C
InChIInChI=1S/C16H16N2/c1-12(2)18-15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h3-11,17H,1-2H3/b17-16+
InChIKeyAHKYRNOLLBHPRT-WUKNDPDISA-N
XLogP4.22
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenecarboximidoyl)benzenecarbothioamide
CID 87473973
[2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine
CID 10515193
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CID 146420860
(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine
CID 135008766
ethane;1-phenylethanimine
CID 91121262
2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
1-[2-(methylideneamino)phenyl]ethanimine
CID 89114135
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline
CID 142255330
2-(propan-2-ylideneamino)benzaldehyde
CID 135040375
[4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine
CID 102210990
diphenylmethanimine;ethane
CID 145102767

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine?
The IUPAC name of N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine (CID 139968797) is N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine.
What is the SMILES notation for N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine?
The canonical SMILES for N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine is [H]/N=C(\c1ccccc1)c1ccccc1N=C(C)C.
What is the InChIKey of N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine?
The InChIKey is AHKYRNOLLBHPRT-WUKNDPDISA-N. The full InChI is InChI=1S/C16H16N2/c1-12(2)18-15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h3-11,17H,1-2H3/b17-16+.
What are the key properties of N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine?
N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine has a molecular weight of 236.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine is sourced from PubChem (CID 139968797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).