2-(4-formylphenyl)benzenecarboximidamide

C14H12N2O — CID 89125419

IUPAC2-(4-formylphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccc(C=O)cc1
InChIInChI=1S/C14H12N2O/c15-14(16)13-4-2-1-3-12(13)11-7-5-10(9-17)6-8-11/h1-9H,(H3,15,16)
InChIKeyJQPLNUJENROTTC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-formylphenyl)benzenecarboximidamide

2-(4-formylphenyl)benzenecarboximidamide (PubChem CID 89125419) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-formylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(4-formylphenyl)benzenecarboximidamide
PubChem CID89125419
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(4-formylphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccc(C=O)cc1
InChIInChI=1S/C14H12N2O/c15-14(16)13-4-2-1-3-12(13)11-7-5-10(9-17)6-8-11/h1-9H,(H3,15,16)
InChIKeyJQPLNUJENROTTC-UHFFFAOYSA-N
XLogP2.45
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-formylphenyl)benzenecarboximidamide?
The IUPAC name of 2-(4-formylphenyl)benzenecarboximidamide (CID 89125419) is 2-(4-formylphenyl)benzenecarboximidamide.
What is the SMILES notation for 2-(4-formylphenyl)benzenecarboximidamide?
The canonical SMILES for 2-(4-formylphenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1-c1ccc(C=O)cc1.
What is the InChIKey of 2-(4-formylphenyl)benzenecarboximidamide?
The InChIKey is JQPLNUJENROTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-14(16)13-4-2-1-3-12(13)11-7-5-10(9-17)6-8-11/h1-9H,(H3,15,16).
What are the key properties of 2-(4-formylphenyl)benzenecarboximidamide?
2-(4-formylphenyl)benzenecarboximidamide has a molecular weight of 224.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenyl)benzenecarboximidamide is sourced from PubChem (CID 89125419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).