benzene-1,2-dicarboximidamide

C8H10N4 — CID 4532905

IUPACbenzene-1,2-dicarboximidamide
SMILES[H]/N=C(\N)c1ccccc1/C(N)=N/[H]
InChIInChI=1S/C8H10N4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H3,9,10)(H3,11,12)
InChIKeyCZMCQHMXUGVADN-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.25
Rot. Bonds2

About benzene-1,2-dicarboximidamide

benzene-1,2-dicarboximidamide (PubChem CID 4532905) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is benzene-1,2-dicarboximidamide.

Molecular Properties

Compound Namebenzene-1,2-dicarboximidamide
PubChem CID4532905
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Namebenzene-1,2-dicarboximidamide
SMILES[H]/N=C(\N)c1ccccc1/C(N)=N/[H]
InChIInChI=1S/C8H10N4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H3,9,10)(H3,11,12)
InChIKeyCZMCQHMXUGVADN-UHFFFAOYSA-N
XLogP0.25
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.25
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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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-dicarboximidamide?
The IUPAC name of benzene-1,2-dicarboximidamide (CID 4532905) is benzene-1,2-dicarboximidamide.
What is the SMILES notation for benzene-1,2-dicarboximidamide?
The canonical SMILES for benzene-1,2-dicarboximidamide is [H]/N=C(\N)c1ccccc1/C(N)=N/[H].
What is the InChIKey of benzene-1,2-dicarboximidamide?
The InChIKey is CZMCQHMXUGVADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H3,9,10)(H3,11,12).
What are the key properties of benzene-1,2-dicarboximidamide?
benzene-1,2-dicarboximidamide has a molecular weight of 162.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-dicarboximidamide is sourced from PubChem (CID 4532905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).