N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide

C20H18N4 — CID 132564984

IUPACN'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
SMILESN/C(=N\c1cccc(/N=C(\N)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C20H18N4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H,(H2,21,23)(H2,22,24)
InChIKeyJOGBDHDZXFETGO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.76
Rot. Bonds4

About N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide

N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide (PubChem CID 132564984) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
PubChem CID132564984
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
SMILESN/C(=N\c1cccc(/N=C(\N)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C20H18N4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H,(H2,21,23)(H2,22,24)
InChIKeyJOGBDHDZXFETGO-UHFFFAOYSA-N
XLogP3.76
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.76
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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Related Compounds

N'-[3-(dimethylamino)phenyl]benzenecarboximidamide
CID 113297943
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
CID 139891874
N'-(3,4,5-trifluorophenyl)benzenecarboximidamide
CID 55160149
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride
CID 11784798
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957
N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide
CID 63176206

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide?
The IUPAC name of N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide (CID 132564984) is N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide?
The canonical SMILES for N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide is N/C(=N\c1cccc(/N=C(\N)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide?
The InChIKey is JOGBDHDZXFETGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H,(H2,21,23)(H2,22,24).
What are the key properties of N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide?
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide has a molecular weight of 314.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide is sourced from PubChem (CID 132564984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).