N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide

C20H18N4O — CID 142223846

IUPACN-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N=N\[H])c1cccc(NCc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H18N4O/c21-20(24-22)16-5-4-6-17(13-16)23-14-15-9-11-19(12-10-15)25-18-7-2-1-3-8-18/h1-13,21-23H,14H2/b21-20-,24-22+
InChIKeyZBGJUKMGPKTREB-LXPFAFIKSA-N
MW330.39 g/mol
LogP5.45
Rot. Bonds6

About N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide

N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide (PubChem CID 142223846) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide.

Molecular Properties

Compound NameN-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
PubChem CID142223846
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N=N\[H])c1cccc(NCc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H18N4O/c21-20(24-22)16-5-4-6-17(13-16)23-14-15-9-11-19(12-10-15)25-18-7-2-1-3-8-18/h1-13,21-23H,14H2/b21-20-,24-22+
InChIKeyZBGJUKMGPKTREB-LXPFAFIKSA-N
XLogP5.45
TPSA81.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.39
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

hydrazine;3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142938542
3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide
CID 142223657
3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide
CID 142938740
hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142938635
N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 173497556
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
3-[[4-[(3-carboxyphenoxy)methyl]phenyl]methylamino]benzoic acid
CID 118636142
3-[[4-[(3-ethoxyanilino)methyl]phenyl]methylamino]benzoic acid
CID 166909603
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
N-benzyl-3-phenylmethoxyaniline
CID 54801332
4-[(3-bromoanilino)methyl]benzoic acid
CID 39439101
methyl 3-[(4-ethoxyphenyl)methylamino]benzoate
CID 43217515

Frequently Asked Questions

What is the IUPAC name of N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide?
The IUPAC name of N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide (CID 142223846) is N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide.
What is the SMILES notation for N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide?
The canonical SMILES for N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide is [H]/N=C(\N=N\[H])c1cccc(NCc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide?
The InChIKey is ZBGJUKMGPKTREB-LXPFAFIKSA-N. The full InChI is InChI=1S/C20H18N4O/c21-20(24-22)16-5-4-6-17(13-16)23-14-15-9-11-19(12-10-15)25-18-7-2-1-3-8-18/h1-13,21-23H,14H2/b21-20-,24-22+.
What are the key properties of N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide?
N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide has a molecular weight of 330.39 g/mol, XLogP of 5.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide is sourced from PubChem (CID 142223846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).