4-(3-cyanophenyl)benzenecarboximidamide

C14H11N3 — CID 6345365

IUPAC4-(3-cyanophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C14H11N3/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-8H,(H3,16,17)
InChIKeyRJMZPRSWPBFCFC-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.51
Rot. Bonds2

About 4-(3-cyanophenyl)benzenecarboximidamide

4-(3-cyanophenyl)benzenecarboximidamide (PubChem CID 6345365) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(3-cyanophenyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)benzenecarboximidamide
PubChem CID6345365
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name4-(3-cyanophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C14H11N3/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-8H,(H3,16,17)
InChIKeyRJMZPRSWPBFCFC-UHFFFAOYSA-N
XLogP2.51
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
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 4-(3-cyanophenyl)benzenecarboximidamide?
The IUPAC name of 4-(3-cyanophenyl)benzenecarboximidamide (CID 6345365) is 4-(3-cyanophenyl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-cyanophenyl)benzenecarboximidamide?
The canonical SMILES for 4-(3-cyanophenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cccc(C#N)c2)cc1.
What is the InChIKey of 4-(3-cyanophenyl)benzenecarboximidamide?
The InChIKey is RJMZPRSWPBFCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-8H,(H3,16,17).
What are the key properties of 4-(3-cyanophenyl)benzenecarboximidamide?
4-(3-cyanophenyl)benzenecarboximidamide has a molecular weight of 221.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)benzenecarboximidamide is sourced from PubChem (CID 6345365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).