1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine

C15H13Br2N5 — CID 6778167

IUPAC1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine
SMILESNC(=N/N=C\c1ccc(Br)cc1)N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9-,20-10-
InChIKeyGGHXKKZQNZZKCW-QJUDHZBZSA-N
MW423.11 g/mol
LogP3.48
Rot. Bonds4

About 1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine

1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine (PubChem CID 6778167) has the molecular formula C15H13Br2N5 and a molecular weight of 423.11 g/mol. Its IUPAC name is 1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine
PubChem CID6778167
Molecular FormulaC15H13Br2N5
Molecular Weight423.11 g/mol
Exact Mass420.95
IUPAC Name1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine
SMILESNC(=N/N=C\c1ccc(Br)cc1)N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9-,20-10-
InChIKeyGGHXKKZQNZZKCW-QJUDHZBZSA-N
XLogP3.48
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.11
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(4-bromophenyl)methylideneamino]-1-[(E)-(4-cyanophenyl)methylideneamino]guanidine;hydrobromide
CID 21497963
2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
CID 72952246
1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 11963576
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1,2-bis[(4-fluorophenyl)methylideneamino]guanidine
CID 2222853
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768
1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
1-[(4-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methylideneamino]guanidine
CID 123386434
1,2-bis[(E)-(3,4-dihydroxyphenyl)methylideneamino]guanidine;hydrochloride
CID 172961336

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine (CID 6778167) is 1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine is NC(=N/N=C\c1ccc(Br)cc1)N/N=C\c1ccc(Br)cc1.
What is the InChIKey of 1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine?
The InChIKey is GGHXKKZQNZZKCW-QJUDHZBZSA-N. The full InChI is InChI=1S/C15H13Br2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9-,20-10-.
What are the key properties of 1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine?
1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine has a molecular weight of 423.11 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine is sourced from PubChem (CID 6778167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).