N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide

C23H20N2 — CID 122216328

IUPACN,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide
SMILESCc1ccccc1/N=C(\C#Cc1ccccc1)Nc1ccccc1C
InChIInChI=1S/C23H20N2/c1-18-10-6-8-14-21(18)24-23(17-16-20-12-4-3-5-13-20)25-22-15-9-7-11-19(22)2/h3-15H,1-2H3,(H,24,25)
InChIKeyCAPSUFJYPLZSOH-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.50
Rot. Bonds2

About N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide

N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide (PubChem CID 122216328) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide.

Molecular Properties

Compound NameN,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide
PubChem CID122216328
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC NameN,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide
SMILESCc1ccccc1/N=C(\C#Cc1ccccc1)Nc1ccccc1C
InChIInChI=1S/C23H20N2/c1-18-10-6-8-14-21(18)24-23(17-16-20-12-4-3-5-13-20)25-22-15-9-7-11-19(22)2/h3-15H,1-2H3,(H,24,25)
InChIKeyCAPSUFJYPLZSOH-UHFFFAOYSA-N
XLogP5.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.50
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N,N'-bis[2-(trifluoromethyl)phenyl]prop-2-ynimidamide
CID 20660787
acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline
CID 23578391
1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
CID 160707040
N,N',3-triphenylprop-2-ynimidamide
CID 139160871
1-amino-1,2,3-tris(2-methylphenyl)guanidine
CID 67749783
N-(2-methoxyphenyl)-N'-(2-methylphenyl)ethanimidamide
CID 20660876
N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide
CID 4779414
N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
2-(2-methylanilino)prop-2-enoic acid
CID 67584217
ethane;1-methyl-3-(2-methylphenyl)thiourea
CID 90811934

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide?
The IUPAC name of N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide (CID 122216328) is N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide.
What is the SMILES notation for N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide?
The canonical SMILES for N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide is Cc1ccccc1/N=C(\C#Cc1ccccc1)Nc1ccccc1C.
What is the InChIKey of N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide?
The InChIKey is CAPSUFJYPLZSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-18-10-6-8-14-21(18)24-23(17-16-20-12-4-3-5-13-20)25-22-15-9-7-11-19(22)2/h3-15H,1-2H3,(H,24,25).
What are the key properties of N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide?
N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide has a molecular weight of 324.43 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide is sourced from PubChem (CID 122216328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).