4-[(4-phenylphenyl)methylamino]benzenecarboximidamide

C20H19N3 — CID 142223741

IUPAC4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H19N3/c21-20(22)18-10-12-19(13-11-18)23-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,23H,14H2,(H3,21,22)
InChIKeyXSLIXJUMAYJADS-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.25
Rot. Bonds5

About 4-[(4-phenylphenyl)methylamino]benzenecarboximidamide

4-[(4-phenylphenyl)methylamino]benzenecarboximidamide (PubChem CID 142223741) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[(4-phenylphenyl)methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
PubChem CID142223741
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H19N3/c21-20(22)18-10-12-19(13-11-18)23-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,23H,14H2,(H3,21,22)
InChIKeyXSLIXJUMAYJADS-UHFFFAOYSA-N
XLogP4.25
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.25
H-Bond Donors ≤ 53
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

hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142938635
ethane;4-phenylbenzenecarboximidamide
CID 91221015
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
CID 73051218
4-[[3-[[4-(N'-methylcarbamimidoyl)anilino]methyl]phenyl]methylamino]benzenecarboximidamide
CID 58652724
hydrazine;3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142938542
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
CID 142648170
benzenecarboximidamide;N-[[4-(9,9-diphenyl-4b,5-dihydrofluoren-4-yl)phenyl]methyl]-4-phenylaniline
CID 145237235
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
N-[(4-carbamimidoylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 73052491

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenyl)methylamino]benzenecarboximidamide?
The IUPAC name of 4-[(4-phenylphenyl)methylamino]benzenecarboximidamide (CID 142223741) is 4-[(4-phenylphenyl)methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[(4-phenylphenyl)methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[(4-phenylphenyl)methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-phenylphenyl)methylamino]benzenecarboximidamide?
The InChIKey is XSLIXJUMAYJADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c21-20(22)18-10-12-19(13-11-18)23-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,23H,14H2,(H3,21,22).
What are the key properties of 4-[(4-phenylphenyl)methylamino]benzenecarboximidamide?
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide has a molecular weight of 301.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenyl)methylamino]benzenecarboximidamide is sourced from PubChem (CID 142223741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).