N,N'-bis(4-methylphenyl)benzenecarboximidamide

C42H40N4 — CID 139057076

IUPACN,N'-bis(4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccccc2)cc1.Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/2C21H20N2/c2*1-16-8-12-19(13-9-16)22-21(18-6-4-3-5-7-18)23-20-14-10-17(2)11-15-20/h2*3-15H,1-2H3,(H,22,23)
InChIKeyUYYXEGZWRRUAPS-UHFFFAOYSA-N
MW600.81 g/mol
LogP10.99
Rot. Bonds6

About N,N'-bis(4-methylphenyl)benzenecarboximidamide

N,N'-bis(4-methylphenyl)benzenecarboximidamide (PubChem CID 139057076) has the molecular formula C42H40N4 and a molecular weight of 600.81 g/mol. Its IUPAC name is N,N'-bis(4-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN,N'-bis(4-methylphenyl)benzenecarboximidamide
PubChem CID139057076
Molecular FormulaC42H40N4
Molecular Weight600.81 g/mol
Exact Mass600.33
IUPAC NameN,N'-bis(4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccccc2)cc1.Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/2C21H20N2/c2*1-16-8-12-19(13-9-16)22-21(18-6-4-3-5-7-18)23-20-14-10-17(2)11-15-20/h2*3-15H,1-2H3,(H,22,23)
InChIKeyUYYXEGZWRRUAPS-UHFFFAOYSA-N
XLogP10.99
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.81
LogP ≤ 510.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methylphenyl)benzenecarboximidamide?
The IUPAC name of N,N'-bis(4-methylphenyl)benzenecarboximidamide (CID 139057076) is N,N'-bis(4-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N,N'-bis(4-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N,N'-bis(4-methylphenyl)benzenecarboximidamide is Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccccc2)cc1.Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis(4-methylphenyl)benzenecarboximidamide?
The InChIKey is UYYXEGZWRRUAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N2/c2*1-16-8-12-19(13-9-16)22-21(18-6-4-3-5-7-18)23-20-14-10-17(2)11-15-20/h2*3-15H,1-2H3,(H,22,23).
What are the key properties of N,N'-bis(4-methylphenyl)benzenecarboximidamide?
N,N'-bis(4-methylphenyl)benzenecarboximidamide has a molecular weight of 600.81 g/mol, XLogP of 10.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 139057076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).