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

C15H13Br2N5 — CID 10273826

IUPAC1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccccc1Br)N/N=C/c1ccccc1Br
InChIInChI=1S/C15H13Br2N5/c16-13-7-3-1-5-11(13)9-19-21-15(18)22-20-10-12-6-2-4-8-14(12)17/h1-10H,(H3,18,21,22)/b19-9+,20-10+
InChIKeyBRBUSWVPCNPTGV-LQGKIZFRSA-N
MW423.11 g/mol
LogP3.48
Rot. Bonds4

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

1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine (PubChem CID 10273826) has the molecular formula C15H13Br2N5 and a molecular weight of 423.11 g/mol. Its IUPAC name is 1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine
PubChem CID10273826
Molecular FormulaC15H13Br2N5
Molecular Weight423.11 g/mol
Exact Mass420.95
IUPAC Name1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccccc1Br)N/N=C/c1ccccc1Br
InChIInChI=1S/C15H13Br2N5/c16-13-7-3-1-5-11(13)9-19-21-15(18)22-20-10-12-6-2-4-8-14(12)17/h1-10H,(H3,18,21,22)/b19-9+,20-10+
InChIKeyBRBUSWVPCNPTGV-LQGKIZFRSA-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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine (CID 10273826) is 1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine is N/C(=N\N=C\c1ccccc1Br)N/N=C/c1ccccc1Br.
What is the InChIKey of 1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine?
The InChIKey is BRBUSWVPCNPTGV-LQGKIZFRSA-N. The full InChI is InChI=1S/C15H13Br2N5/c16-13-7-3-1-5-11(13)9-19-21-15(18)22-20-10-12-6-2-4-8-14(12)17/h1-10H,(H3,18,21,22)/b19-9+,20-10+.
What are the key properties of 1,2-bis[(E)-(2-bromophenyl)methylideneamino]guanidine?
1,2-bis[(E)-(2-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[(E)-(2-bromophenyl)methylideneamino]guanidine is sourced from PubChem (CID 10273826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).