benzyl(dianilinomethylidene)azanium bromide

C20H20BrN3 — CID 45124278

IUPACbenzyl(dianilinomethylidene)azanium bromide
SMILES[Br-].c1ccc(C[NH+]=C(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C20H19N3.BrH/c1-4-10-17(11-5-1)16-21-20(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19;/h1-15H,16H2,(H2,21,22,23);1H
InChIKeyFQOAGGZIZWFTCU-UHFFFAOYSA-N
MW382.31 g/mol
LogP-0.15
Rot. Bonds4

About benzyl(dianilinomethylidene)azanium bromide

benzyl(dianilinomethylidene)azanium bromide (PubChem CID 45124278) has the molecular formula C20H20BrN3 and a molecular weight of 382.31 g/mol. Its IUPAC name is benzyl(dianilinomethylidene)azanium bromide.

Molecular Properties

Compound Namebenzyl(dianilinomethylidene)azanium bromide
PubChem CID45124278
Molecular FormulaC20H20BrN3
Molecular Weight382.31 g/mol
Exact Mass381.08
IUPAC Namebenzyl(dianilinomethylidene)azanium bromide
SMILES[Br-].c1ccc(C[NH+]=C(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C20H19N3.BrH/c1-4-10-17(11-5-1)16-21-20(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19;/h1-15H,16H2,(H2,21,22,23);1H
InChIKeyFQOAGGZIZWFTCU-UHFFFAOYSA-N
XLogP-0.15
TPSA38.03 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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

1-(4-anilinophenyl)-3-benzylurea
CID 24664594
N'-chloro-N-phenylfuran-2-carboximidamide
CID 163531531
2-benzyl-1-phenylguanidine
CID 12910062
S-benzyl N-phenylcarbamothioate
CID 11459176
benzene;N-phenylhydroxylamine
CID 162151307
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
N-[(Z)-1,3-diphenylprop-1-en-2-yl]aniline
CID 23278559
N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline
CID 23278560
2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide
CID 17235513
trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide
CID 899834

Frequently Asked Questions

What is the IUPAC name of benzyl(dianilinomethylidene)azanium bromide?
The IUPAC name of benzyl(dianilinomethylidene)azanium bromide (CID 45124278) is benzyl(dianilinomethylidene)azanium bromide.
What is the SMILES notation for benzyl(dianilinomethylidene)azanium bromide?
The canonical SMILES for benzyl(dianilinomethylidene)azanium bromide is [Br-].c1ccc(C[NH+]=C(Nc2ccccc2)Nc2ccccc2)cc1.
What is the InChIKey of benzyl(dianilinomethylidene)azanium bromide?
The InChIKey is FQOAGGZIZWFTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3.BrH/c1-4-10-17(11-5-1)16-21-20(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19;/h1-15H,16H2,(H2,21,22,23);1H.
What are the key properties of benzyl(dianilinomethylidene)azanium bromide?
benzyl(dianilinomethylidene)azanium bromide has a molecular weight of 382.31 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(dianilinomethylidene)azanium bromide is sourced from PubChem (CID 45124278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).