N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide

C15H13N3 — CID 12966223

IUPACN'-(4-cyanophenyl)-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H13N3/c1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14/h2-9H,1H3,(H2,17,18)
InChIKeySWVGOOCZXPCXAV-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.90
Rot. Bonds2

About N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide

N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide (PubChem CID 12966223) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)-4-methylbenzenecarboximidamide
PubChem CID12966223
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC NameN'-(4-cyanophenyl)-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H13N3/c1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14/h2-9H,1H3,(H2,17,18)
InChIKeySWVGOOCZXPCXAV-UHFFFAOYSA-N
XLogP2.90
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
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 N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide?
The IUPAC name of N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide (CID 12966223) is N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide is Cc1ccc(/C(N)=N/c2ccc(C#N)cc2)cc1.
What is the InChIKey of N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide?
The InChIKey is SWVGOOCZXPCXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14/h2-9H,1H3,(H2,17,18).
What are the key properties of N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide?
N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide has a molecular weight of 235.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 12966223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).