1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea

C16H14N4O — CID 155292911

IUPAC1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea
SMILESN#CC(NC(=O)NN=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O/c17-11-15(14-9-5-2-6-10-14)19-16(21)20-18-12-13-7-3-1-4-8-13/h1-10,12,15H,(H2,19,20,21)
InChIKeyZNLIMVDUNIPIOO-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.58
Rot. Bonds4

About 1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea

1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea (PubChem CID 155292911) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea.

Molecular Properties

Compound Name1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea
PubChem CID155292911
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea
SMILESN#CC(NC(=O)NN=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O/c17-11-15(14-9-5-2-6-10-14)19-16(21)20-18-12-13-7-3-1-4-8-13/h1-10,12,15H,(H2,19,20,21)
InChIKeyZNLIMVDUNIPIOO-UHFFFAOYSA-N
XLogP2.58
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide
CID 126210762
(2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126203787
[(E)-benzylideneamino]urea
CID 6861419
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474
(E)-N-[(S)-cyano-(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 9246098
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
benzaldehyde;2-(methylamino)-2-phenylacetonitrile
CID 159320881
(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126213918
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104919730

Frequently Asked Questions

What is the IUPAC name of 1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea?
The IUPAC name of 1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea (CID 155292911) is 1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea.
What is the SMILES notation for 1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea?
The canonical SMILES for 1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea is N#CC(NC(=O)NN=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea?
The InChIKey is ZNLIMVDUNIPIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-11-15(14-9-5-2-6-10-14)19-16(21)20-18-12-13-7-3-1-4-8-13/h1-10,12,15H,(H2,19,20,21).
What are the key properties of 1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea?
1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea has a molecular weight of 278.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-3-[cyano(phenyl)methyl]urea is sourced from PubChem (CID 155292911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).