N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide

C20H17N3 — CID 167251007

IUPACN-phenyl-N-(phenyliminomethyl)benzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(/C=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N3/c21-20(17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)16-22-18-12-6-2-7-13-18/h1-16,21H/b21-20+,22-16+
InChIKeyQMOVXEZNPNINBE-NREFBKHKSA-N
MW299.38 g/mol
LogP4.88
Rot. Bonds4

About N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide

N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide (PubChem CID 167251007) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-phenyl-N-(phenyliminomethyl)benzenecarboximidamide
PubChem CID167251007
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC NameN-phenyl-N-(phenyliminomethyl)benzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(/C=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N3/c21-20(17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)16-22-18-12-6-2-7-13-18/h1-16,21H/b21-20+,22-16+
InChIKeyQMOVXEZNPNINBE-NREFBKHKSA-N
XLogP4.88
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.88
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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Related Compounds

N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide
CID 102200387
N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide
CID 132553199
4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide
CID 11450808
N'-[3-(dimethylamino)phenyl]benzenecarboximidamide
CID 113297943
dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide
CID 10972017
N'-[N-(benzenecarboximidoyl)-N-methylcarbamimidoyl]benzenecarboximidamide
CID 123674972
N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
CID 63725873
N-(benzenecarboximidoyl)-N-[4-(6-phenylpyren-1-yl)phenyl]benzenecarboximidamide
CID 129256959
2,4-dihydroxy-6-oxo-N,1-diphenyl-N-(phenyliminomethyl)pyridine-3-carboxamide
CID 135454230
benzenecarboximidoyl(benzyl)carbamic acid
CID 150321176
N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide
CID 124927893
phenyl N-(4-methylphenyl)-N-[(4-methylphenyl)iminomethyl]carbamate
CID 15732482

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide?
The IUPAC name of N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide (CID 167251007) is N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide.
What is the SMILES notation for N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide?
The canonical SMILES for N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide is [H]/N=C(\c1ccccc1)N(/C=N/c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide?
The InChIKey is QMOVXEZNPNINBE-NREFBKHKSA-N. The full InChI is InChI=1S/C20H17N3/c21-20(17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)16-22-18-12-6-2-7-13-18/h1-16,21H/b21-20+,22-16+.
What are the key properties of N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide?
N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide has a molecular weight of 299.38 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide is sourced from PubChem (CID 167251007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).