N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide

C21H20N2 — CID 3332745

IUPACN'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(N/C(=N/c2ccccc2C)c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-16-12-14-19(15-13-16)22-21(18-9-4-3-5-10-18)23-20-11-7-6-8-17(20)2/h3-15H,1-2H3,(H,22,23)
InChIKeyJRENNDVRGKQXMM-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.49
Rot. Bonds3

About N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide

N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide (PubChem CID 3332745) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
PubChem CID3332745
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC NameN'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(N/C(=N/c2ccccc2C)c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-16-12-14-19(15-13-16)22-21(18-9-4-3-5-10-18)23-20-11-7-6-8-17(20)2/h3-15H,1-2H3,(H,22,23)
InChIKeyJRENNDVRGKQXMM-UHFFFAOYSA-N
XLogP5.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.49
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'}

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Related Compounds

N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
CID 4779287
N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339966
N-(2-bromophenyl)-N'-(2,4-dimethylphenyl)benzenecarboximidamide
CID 102484487
N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide
CID 4779414
N-(4-chlorophenyl)-N'-(2-diphenylphosphanylphenyl)benzenecarboximidamide
CID 57380497
1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
CID 160707040
N'-(4-methylphenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]benzenecarboximidamide;hydrochloride
CID 163339519
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide
CID 56730349
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine
CID 57051109
N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide
CID 123171228

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide (CID 3332745) is N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide is Cc1ccc(N/C(=N/c2ccccc2C)c2ccccc2)cc1.
What is the InChIKey of N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide?
The InChIKey is JRENNDVRGKQXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-16-12-14-19(15-13-16)22-21(18-9-4-3-5-10-18)23-20-11-7-6-8-17(20)2/h3-15H,1-2H3,(H,22,23).
What are the key properties of N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide?
N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide has a molecular weight of 300.41 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 3332745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).