2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine

C14H12BrCl2N3 — CID 130567686

IUPAC2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine
SMILESN/C(=N\Cc1ccccc1)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H12BrCl2N3/c15-10-6-11(16)13(12(17)7-10)20-14(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,18,19,20)
InChIKeyVSZCDLXIRCCJKX-UHFFFAOYSA-N
MW373.08 g/mol
LogP4.68
Rot. Bonds3

About 2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine

2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine (PubChem CID 130567686) has the molecular formula C14H12BrCl2N3 and a molecular weight of 373.08 g/mol. Its IUPAC name is 2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine
PubChem CID130567686
Molecular FormulaC14H12BrCl2N3
Molecular Weight373.08 g/mol
Exact Mass370.96
IUPAC Name2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine
SMILESN/C(=N\Cc1ccccc1)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H12BrCl2N3/c15-10-6-11(16)13(12(17)7-10)20-14(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,18,19,20)
InChIKeyVSZCDLXIRCCJKX-UHFFFAOYSA-N
XLogP4.68
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.08
LogP ≤ 54.68
H-Bond Donors ≤ 52
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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Related Compounds

2-benzyl-1-phenylguanidine
CID 12910062
1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine
CID 62380699
2-[(4-bromophenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111800437
(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide
CID 43155915
2-benzyl-1-(2,5-difluorophenyl)guanidine
CID 130567646
3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-sulfanylidenepropanamide
CID 28993502
2-benzyl-1-[4-[4-[4-[(N'-benzylcarbamimidoyl)amino]phenyl]piperazin-1-yl]phenyl]guanidine;hydrochloride
CID 11757705
2-[(4-bromophenyl)methyl]-1-hydroxyguanidine
CID 62481269
2-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)guanidine
CID 111024200
2-benzyl-1-[6-[(N'-benzylcarbamimidoyl)amino]hexyl]guanidine
CID 12991061
2-benzyl-1-[8-[(N'-benzylcarbamimidoyl)amino]octyl]guanidine
CID 155530379
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine?
The IUPAC name of 2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine (CID 130567686) is 2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine.
What is the SMILES notation for 2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine?
The canonical SMILES for 2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine is N/C(=N\Cc1ccccc1)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine?
The InChIKey is VSZCDLXIRCCJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N3/c15-10-6-11(16)13(12(17)7-10)20-14(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,18,19,20).
What are the key properties of 2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine?
2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine has a molecular weight of 373.08 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine is sourced from PubChem (CID 130567686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).