benzenecarboximidamide

C7H8N2 — CID 2332

IUPACbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
InChIKeyPXXJHWLDUBFPOL-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.97
Rot. Bonds1

About benzenecarboximidamide

benzenecarboximidamide (PubChem CID 2332) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is benzenecarboximidamide.

Molecular Properties

Compound Namebenzenecarboximidamide
PubChem CID2332
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Namebenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
InChIKeyPXXJHWLDUBFPOL-UHFFFAOYSA-N
XLogP0.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide?
The IUPAC name of benzenecarboximidamide (CID 2332) is benzenecarboximidamide.
What is the SMILES notation for benzenecarboximidamide?
The canonical SMILES for benzenecarboximidamide is [H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide?
The InChIKey is PXXJHWLDUBFPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9).
What are the key properties of benzenecarboximidamide?
benzenecarboximidamide has a molecular weight of 120.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide is sourced from PubChem (CID 2332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).