2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine

C11H15BrN4O4 — CID 173023877

IUPAC2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1c(Br)cc(/C=N/N=C(N)NO)c(OC)c1OC
InChIInChI=1S/C11H15BrN4O4/c1-18-8-6(5-14-15-11(13)16-17)4-7(12)9(19-2)10(8)20-3/h4-5,17H,1-3H3,(H3,13,15,16)/b14-5+
InChIKeyMBPRMGJACYKXTC-LHHJGKSTSA-N
MW347.17 g/mol
LogP1.10
Rot. Bonds5

About 2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 173023877) has the molecular formula C11H15BrN4O4 and a molecular weight of 347.17 g/mol. Its IUPAC name is 2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID173023877
Molecular FormulaC11H15BrN4O4
Molecular Weight347.17 g/mol
Exact Mass346.03
IUPAC Name2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1c(Br)cc(/C=N/N=C(N)NO)c(OC)c1OC
InChIInChI=1S/C11H15BrN4O4/c1-18-8-6(5-14-15-11(13)16-17)4-7(12)9(19-2)10(8)20-3/h4-5,17H,1-3H3,(H3,13,15,16)/b14-5+
InChIKeyMBPRMGJACYKXTC-LHHJGKSTSA-N
XLogP1.10
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 173023876
2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 139982922
1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118
2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 142660061
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173058134
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 135435056
1,2-bis[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]guanidine
CID 161283561
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 91185838
2-[(E)-(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 139982870
1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 139982862
1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 172962285

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (CID 173023877) is 2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is COc1c(Br)cc(/C=N/N=C(N)NO)c(OC)c1OC.
What is the InChIKey of 2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is MBPRMGJACYKXTC-LHHJGKSTSA-N. The full InChI is InChI=1S/C11H15BrN4O4/c1-18-8-6(5-14-15-11(13)16-17)4-7(12)9(19-2)10(8)20-3/h4-5,17H,1-3H3,(H3,13,15,16)/b14-5+.
What are the key properties of 2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 347.17 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 173023877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).