3-phenylbenzenecarboximidamide

C13H12N2 — CID 3564407

IUPAC3-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12N2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H3,14,15)
InChIKeyXIUZVALKFSSETK-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.64
Rot. Bonds2

About 3-phenylbenzenecarboximidamide

3-phenylbenzenecarboximidamide (PubChem CID 3564407) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name3-phenylbenzenecarboximidamide
PubChem CID3564407
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12N2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H3,14,15)
InChIKeyXIUZVALKFSSETK-UHFFFAOYSA-N
XLogP2.64
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.64
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'}

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Related Compounds

CID 2332
CID 2332
CID 80289
CID 80289
CID 5351747
CID 5351747
CID 171660
CID 171660
CID 193409
CID 193409
CID 16219042
CID 16219042
CID 444655
CID 444655
CID 11849800
CID 11849800
CID 122753
CID 122753
CID 2756472
CID 2756472
CID 9580378
CID 9580378
CID 21707121
CID 21707121

Frequently Asked Questions

What is the IUPAC name of 3-phenylbenzenecarboximidamide?
The IUPAC name of 3-phenylbenzenecarboximidamide (CID 3564407) is 3-phenylbenzenecarboximidamide.
What is the SMILES notation for 3-phenylbenzenecarboximidamide?
The canonical SMILES for 3-phenylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenylbenzenecarboximidamide?
The InChIKey is XIUZVALKFSSETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H3,14,15).
What are the key properties of 3-phenylbenzenecarboximidamide?
3-phenylbenzenecarboximidamide has a molecular weight of 196.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzenecarboximidamide is sourced from PubChem (CID 3564407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).