N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide

C24H22N2 — CID 138636529

IUPACN'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide
SMILESC=C(C)/C=C(\N=C(/N)c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H22N2/c1-18(2)17-23(26-24(25)20-13-7-4-8-14-20)22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-17H,1H2,2H3,(H2,25,26)/b23-17-
InChIKeyONIHAGZUAVGGOF-QJOMJCCJSA-N
MW338.45 g/mol
LogP5.68
Rot. Bonds5

About N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide

N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide (PubChem CID 138636529) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide
PubChem CID138636529
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC NameN'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide
SMILESC=C(C)/C=C(\N=C(/N)c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H22N2/c1-18(2)17-23(26-24(25)20-13-7-4-8-14-20)22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-17H,1H2,2H3,(H2,25,26)/b23-17-
InChIKeyONIHAGZUAVGGOF-QJOMJCCJSA-N
XLogP5.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide?
The IUPAC name of N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide (CID 138636529) is N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide?
The canonical SMILES for N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide is C=C(C)/C=C(\N=C(/N)c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide?
The InChIKey is ONIHAGZUAVGGOF-QJOMJCCJSA-N. The full InChI is InChI=1S/C24H22N2/c1-18(2)17-23(26-24(25)20-13-7-4-8-14-20)22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-17H,1H2,2H3,(H2,25,26)/b23-17-.
What are the key properties of N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide?
N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide has a molecular weight of 338.45 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide is sourced from PubChem (CID 138636529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).