N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide

C20H17N3 — CID 102200387

IUPACN-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(/C(=N/[H])c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N3/c21-19(16-10-4-1-5-11-16)23(18-14-8-3-9-15-18)20(22)17-12-6-2-7-13-17/h1-15,21-22H/b21-19+,22-20+
InChIKeyODBXOEKODORSPB-FLFKKZLDSA-N
MW299.38 g/mol
LogP4.54
Rot. Bonds3

About N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide

N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide (PubChem CID 102200387) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide
PubChem CID102200387
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC NameN-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(/C(=N/[H])c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N3/c21-19(16-10-4-1-5-11-16)23(18-14-8-3-9-15-18)20(22)17-12-6-2-7-13-17/h1-15,21-22H/b21-19+,22-20+
InChIKeyODBXOEKODORSPB-FLFKKZLDSA-N
XLogP4.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.54
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 N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide?
The IUPAC name of N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide (CID 102200387) is N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide?
The canonical SMILES for N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide is [H]/N=C(\c1ccccc1)N(/C(=N/[H])c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide?
The InChIKey is ODBXOEKODORSPB-FLFKKZLDSA-N. The full InChI is InChI=1S/C20H17N3/c21-19(16-10-4-1-5-11-16)23(18-14-8-3-9-15-18)20(22)17-12-6-2-7-13-17/h1-15,21-22H/b21-19+,22-20+.
What are the key properties of N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide?
N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide has a molecular weight of 299.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 102200387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).