2-phenylbenzenecarboximidamide

C13H12N2 — CID 3683769

IUPAC2-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H12N2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H3,14,15)
InChIKeyLNUYLGUBVHEHEL-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.64
Rot. Bonds2

About 2-phenylbenzenecarboximidamide

2-phenylbenzenecarboximidamide (PubChem CID 3683769) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name2-phenylbenzenecarboximidamide
PubChem CID3683769
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H12N2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H3,14,15)
InChIKeyLNUYLGUBVHEHEL-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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Frequently Asked Questions

What is the IUPAC name of 2-phenylbenzenecarboximidamide?
The IUPAC name of 2-phenylbenzenecarboximidamide (CID 3683769) is 2-phenylbenzenecarboximidamide.
What is the SMILES notation for 2-phenylbenzenecarboximidamide?
The canonical SMILES for 2-phenylbenzenecarboximidamide is [H]/N=C(\N)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenylbenzenecarboximidamide?
The InChIKey is LNUYLGUBVHEHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H3,14,15).
What are the key properties of 2-phenylbenzenecarboximidamide?
2-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 2-phenylbenzenecarboximidamide is sourced from PubChem (CID 3683769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).