N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide

C11H13Br2N3 — CID 122095446

IUPACN'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide
SMILESN/C(=N\Cc1cc(Br)ccc1Br)N1CCC1
InChIInChI=1S/C11H13Br2N3/c12-9-2-3-10(13)8(6-9)7-15-11(14)16-4-1-5-16/h2-3,6H,1,4-5,7H2,(H2,14,15)
InChIKeyQDKGSBXOCUFZQR-UHFFFAOYSA-N
MW347.05 g/mol
LogP2.73
Rot. Bonds2

About N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide

N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide (PubChem CID 122095446) has the molecular formula C11H13Br2N3 and a molecular weight of 347.05 g/mol. Its IUPAC name is N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide
PubChem CID122095446
Molecular FormulaC11H13Br2N3
Molecular Weight347.05 g/mol
Exact Mass344.95
IUPAC NameN'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide
SMILESN/C(=N\Cc1cc(Br)ccc1Br)N1CCC1
InChIInChI=1S/C11H13Br2N3/c12-9-2-3-10(13)8(6-9)7-15-11(14)16-4-1-5-16/h2-3,6H,1,4-5,7H2,(H2,14,15)
InChIKeyQDKGSBXOCUFZQR-UHFFFAOYSA-N
XLogP2.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 52.73
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'}

Analyze N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
CID 75493910
N'-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111095453
N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110919760
N'-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111045773
N'-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119934022
N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide
CID 122095649
N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 111068778
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide
CID 122097017
N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111098959
N'-[N'-[(4-bromophenyl)methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513636
N'-[(2-bromophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119118180

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide (CID 122095446) is N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide is N/C(=N\Cc1cc(Br)ccc1Br)N1CCC1.
What is the InChIKey of N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide?
The InChIKey is QDKGSBXOCUFZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3/c12-9-2-3-10(13)8(6-9)7-15-11(14)16-4-1-5-16/h2-3,6H,1,4-5,7H2,(H2,14,15).
What are the key properties of N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide?
N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide has a molecular weight of 347.05 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122095446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).