N'-benzhydrylethanimidamide;hydrobromide

C15H17BrN2 — CID 50899558

IUPACN'-benzhydrylethanimidamide;hydrobromide
SMILESBr.C/C(N)=N\C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2.BrH/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15H,1H3,(H2,16,17);1H
InChIKeySCBRUNBFSUXITM-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.73
Rot. Bonds3

About N'-benzhydrylethanimidamide;hydrobromide

N'-benzhydrylethanimidamide;hydrobromide (PubChem CID 50899558) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N'-benzhydrylethanimidamide;hydrobromide.

Molecular Properties

Compound NameN'-benzhydrylethanimidamide;hydrobromide
PubChem CID50899558
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN'-benzhydrylethanimidamide;hydrobromide
SMILESBr.C/C(N)=N\C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2.BrH/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15H,1H3,(H2,16,17);1H
InChIKeySCBRUNBFSUXITM-UHFFFAOYSA-N
XLogP3.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of N'-benzhydrylethanimidamide;hydrobromide?
The IUPAC name of N'-benzhydrylethanimidamide;hydrobromide (CID 50899558) is N'-benzhydrylethanimidamide;hydrobromide.
What is the SMILES notation for N'-benzhydrylethanimidamide;hydrobromide?
The canonical SMILES for N'-benzhydrylethanimidamide;hydrobromide is Br.C/C(N)=N\C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzhydrylethanimidamide;hydrobromide?
The InChIKey is SCBRUNBFSUXITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2.BrH/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15H,1H3,(H2,16,17);1H.
What are the key properties of N'-benzhydrylethanimidamide;hydrobromide?
N'-benzhydrylethanimidamide;hydrobromide has a molecular weight of 305.22 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydrylethanimidamide;hydrobromide is sourced from PubChem (CID 50899558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).