2-(4-bromophenyl)-1-(diaminomethylidene)guanidine

C8H10BrN5 — CID 29665

IUPAC2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(Br)cc1
InChIInChI=1S/C8H10BrN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
InChIKeyGVZIHTVADXTMQR-UHFFFAOYSA-N
MW256.11 g/mol
LogP0.67
Rot. Bonds1

About 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine

2-(4-bromophenyl)-1-(diaminomethylidene)guanidine (PubChem CID 29665) has the molecular formula C8H10BrN5 and a molecular weight of 256.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
PubChem CID29665
Molecular FormulaC8H10BrN5
Molecular Weight256.11 g/mol
Exact Mass255.01
IUPAC Name2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(Br)cc1
InChIInChI=1S/C8H10BrN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
InChIKeyGVZIHTVADXTMQR-UHFFFAOYSA-N
XLogP0.67
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 50.67
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine (CID 29665) is 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine?
The InChIKey is GVZIHTVADXTMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14).
What are the key properties of 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine?
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine has a molecular weight of 256.11 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 29665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).