[[4-(4-cyanophenyl)phenyl]methylideneamino]urea

C15H12N4O — CID 168532335

IUPAC[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
SMILESN#Cc1ccc(-c2ccc(C=NNC(N)=O)cc2)cc1
InChIInChI=1S/C15H12N4O/c16-9-11-1-5-13(6-2-11)14-7-3-12(4-8-14)10-18-19-15(17)20/h1-8,10H,(H3,17,19,20)
InChIKeyBCVQQYPZYVDQMW-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.23
Rot. Bonds3

About [[4-(4-cyanophenyl)phenyl]methylideneamino]urea

[[4-(4-cyanophenyl)phenyl]methylideneamino]urea (PubChem CID 168532335) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is [[4-(4-cyanophenyl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
PubChem CID168532335
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
SMILESN#Cc1ccc(-c2ccc(C=NNC(N)=O)cc2)cc1
InChIInChI=1S/C15H12N4O/c16-9-11-1-5-13(6-2-11)14-7-3-12(4-8-14)10-18-19-15(17)20/h1-8,10H,(H3,17,19,20)
InChIKeyBCVQQYPZYVDQMW-UHFFFAOYSA-N
XLogP2.23
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.23
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

N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 2833020
[(E)-benzylideneamino]urea
CID 6861419
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 6044882
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
1,2-bis[(E)-(4-cyanophenyl)methylideneamino]guanidine;nitric acid
CID 173457767
[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea
CID 168533832
N'-[(4-cyanophenyl)methylideneamino]-N-phenyloxamide
CID 3544444
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027481

Frequently Asked Questions

What is the IUPAC name of [[4-(4-cyanophenyl)phenyl]methylideneamino]urea?
The IUPAC name of [[4-(4-cyanophenyl)phenyl]methylideneamino]urea (CID 168532335) is [[4-(4-cyanophenyl)phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-(4-cyanophenyl)phenyl]methylideneamino]urea?
The canonical SMILES for [[4-(4-cyanophenyl)phenyl]methylideneamino]urea is N#Cc1ccc(-c2ccc(C=NNC(N)=O)cc2)cc1.
What is the InChIKey of [[4-(4-cyanophenyl)phenyl]methylideneamino]urea?
The InChIKey is BCVQQYPZYVDQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-9-11-1-5-13(6-2-11)14-7-3-12(4-8-14)10-18-19-15(17)20/h1-8,10H,(H3,17,19,20).
What are the key properties of [[4-(4-cyanophenyl)phenyl]methylideneamino]urea?
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea has a molecular weight of 264.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(4-cyanophenyl)phenyl]methylideneamino]urea is sourced from PubChem (CID 168532335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).