biphenylene-1,8-dicarboximidamide

C14H12N4 — CID 71696896

IUPACbiphenylene-1,8-dicarboximidamide
SMILES[H]/N=C(\N)c1cccc2c1=c1c(/C(N)=N/[H])cccc1=2
InChIInChI=1S/C14H12N4/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)11(7)9/h1-6H,(H3,15,16)(H3,17,18)
InChIKeyBEMMBNMUJSKEHT-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.14
Rot. Bonds2

About biphenylene-1,8-dicarboximidamide

biphenylene-1,8-dicarboximidamide (PubChem CID 71696896) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is biphenylene-1,8-dicarboximidamide.

Molecular Properties

Compound Namebiphenylene-1,8-dicarboximidamide
PubChem CID71696896
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Namebiphenylene-1,8-dicarboximidamide
SMILES[H]/N=C(\N)c1cccc2c1=c1c(/C(N)=N/[H])cccc1=2
InChIInChI=1S/C14H12N4/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)11(7)9/h1-6H,(H3,15,16)(H3,17,18)
InChIKeyBEMMBNMUJSKEHT-UHFFFAOYSA-N
XLogP1.14
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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-(2-aminoethenyl)benzenecarboximidamide
CID 70572604
1,3-benzothiazole-4-carboximidamide
CID 83677254
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
1-hydroxybenzimidazole-4-carboximidamide
CID 122687135
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
3-chloro-2-(methylideneamino)benzenecarboximidamide
CID 169150849
1-hydroxyindole-4-carboximidamide
CID 68773031
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
CID 19362129
pyridine-2,6-dicarboximidamide
CID 23373306
3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide
CID 174808236
3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide
CID 83877407

Frequently Asked Questions

What is the IUPAC name of biphenylene-1,8-dicarboximidamide?
The IUPAC name of biphenylene-1,8-dicarboximidamide (CID 71696896) is biphenylene-1,8-dicarboximidamide.
What is the SMILES notation for biphenylene-1,8-dicarboximidamide?
The canonical SMILES for biphenylene-1,8-dicarboximidamide is [H]/N=C(\N)c1cccc2c1=c1c(/C(N)=N/[H])cccc1=2.
What is the InChIKey of biphenylene-1,8-dicarboximidamide?
The InChIKey is BEMMBNMUJSKEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)11(7)9/h1-6H,(H3,15,16)(H3,17,18).
What are the key properties of biphenylene-1,8-dicarboximidamide?
biphenylene-1,8-dicarboximidamide has a molecular weight of 236.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene-1,8-dicarboximidamide is sourced from PubChem (CID 71696896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).