2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide

C28H27N3O — CID 137097188

IUPAC2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
SMILESCNC(N/C(=N/Cc1ccc(-c2ccccc2)cc1)c1ccccc1O)c1ccccc1
InChIInChI=1S/C28H27N3O/c1-29-27(24-12-6-3-7-13-24)31-28(25-14-8-9-15-26(25)32)30-20-21-16-18-23(19-17-21)22-10-4-2-5-11-22/h2-19,27,29,32H,20H2,1H3,(H,30,31)
InChIKeyCIRREPRXPJGIKS-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.51
Rot. Bonds7

About 2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide

2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide (PubChem CID 137097188) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
PubChem CID137097188
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
SMILESCNC(N/C(=N/Cc1ccc(-c2ccccc2)cc1)c1ccccc1O)c1ccccc1
InChIInChI=1S/C28H27N3O/c1-29-27(24-12-6-3-7-13-24)31-28(25-14-8-9-15-26(25)32)30-20-21-16-18-23(19-17-21)22-10-4-2-5-11-22/h2-19,27,29,32H,20H2,1H3,(H,30,31)
InChIKeyCIRREPRXPJGIKS-UHFFFAOYSA-N
XLogP5.51
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-diphenylphenyl)-(methylamino)methyl]-3,5-diphenyl-N'-(9,9'-spirobi[fluorene]-2-ylmethyl)benzenecarboximidamide
CID 155711939
N-[(3,5-diphenylphenyl)-(methylamino)methyl]-3,5-diphenyl-N'-(9,9'-spirobi[fluorene]-2-ylmethyl)benzenecarboximidamide;ethane
CID 155711938
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine
CID 111342533
5-hydroxy-2-[C-methyl-N-[(4-phenylphenyl)methyl]carbonimidoyl]pyran-4-thione
CID 123542339
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905
2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol
CID 155745969
2-[4-[(3-methylbutan-2-ylideneamino)methyl]phenyl]benzoic acid
CID 123673583
N'-benzyl-N-methyl-1-phenylmethanediamine
CID 118518516
N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
CID 20701710

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The IUPAC name of 2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide (CID 137097188) is 2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for 2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide is CNC(N/C(=N/Cc1ccc(-c2ccccc2)cc1)c1ccccc1O)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The InChIKey is CIRREPRXPJGIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c1-29-27(24-12-6-3-7-13-24)31-28(25-14-8-9-15-26(25)32)30-20-21-16-18-23(19-17-21)22-10-4-2-5-11-22/h2-19,27,29,32H,20H2,1H3,(H,30,31).
What are the key properties of 2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide has a molecular weight of 421.54 g/mol, XLogP of 5.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[methylamino(phenyl)methyl]-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 137097188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).