3,4-dianilinobenzenecarboximidamide

C19H18N4 — CID 142296312

IUPAC3,4-dianilinobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2ccccc2)c(Nc2ccccc2)c1
InChIInChI=1S/C19H18N4/c20-19(21)14-11-12-17(22-15-7-3-1-4-8-15)18(13-14)23-16-9-5-2-6-10-16/h1-13,22-23H,(H3,20,21)
InChIKeyWRCGUNCDSXEWAB-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.46
Rot. Bonds5

About 3,4-dianilinobenzenecarboximidamide

3,4-dianilinobenzenecarboximidamide (PubChem CID 142296312) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3,4-dianilinobenzenecarboximidamide.

Molecular Properties

Compound Name3,4-dianilinobenzenecarboximidamide
PubChem CID142296312
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name3,4-dianilinobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Nc2ccccc2)c(Nc2ccccc2)c1
InChIInChI=1S/C19H18N4/c20-19(21)14-11-12-17(22-15-7-3-1-4-8-15)18(13-14)23-16-9-5-2-6-10-16/h1-13,22-23H,(H3,20,21)
InChIKeyWRCGUNCDSXEWAB-UHFFFAOYSA-N
XLogP4.46
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

3-(2-methylanilino)benzenecarboximidamide
CID 173292322
4-(4-methoxyanilino)-3-methylbenzenecarboximidamide
CID 123739747
3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide
CID 82240745
benzenecarboximidamide;sulfane
CID 172701796
ethane;4-phenylbenzenecarboximidamide
CID 91221015
benzenecarboximidamide;hydron;chloride
CID 66824376
4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride
CID 22125505
4-(4-phenylanilino)thiophene-2-carboximidamide
CID 141025794
3-(phenylsulfamoyl)benzenecarboximidamide
CID 71451445
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 10278413

Frequently Asked Questions

What is the IUPAC name of 3,4-dianilinobenzenecarboximidamide?
The IUPAC name of 3,4-dianilinobenzenecarboximidamide (CID 142296312) is 3,4-dianilinobenzenecarboximidamide.
What is the SMILES notation for 3,4-dianilinobenzenecarboximidamide?
The canonical SMILES for 3,4-dianilinobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Nc2ccccc2)c(Nc2ccccc2)c1.
What is the InChIKey of 3,4-dianilinobenzenecarboximidamide?
The InChIKey is WRCGUNCDSXEWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c20-19(21)14-11-12-17(22-15-7-3-1-4-8-15)18(13-14)23-16-9-5-2-6-10-16/h1-13,22-23H,(H3,20,21).
What are the key properties of 3,4-dianilinobenzenecarboximidamide?
3,4-dianilinobenzenecarboximidamide has a molecular weight of 302.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dianilinobenzenecarboximidamide is sourced from PubChem (CID 142296312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).