1-anilino-3-phenyliminourea

C13H12N4O — CID 10860

IUPAC1-anilino-3-phenyliminourea
SMILESO=C(/N=N/c1ccccc1)NNc1ccccc1
InChIInChI=1S/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)/b17-15+
InChIKeyZFWAHZCOKGWUIT-BMRADRMJSA-N
MW240.27 g/mol
LogP3.51
Rot. Bonds3

About 1-anilino-3-phenyliminourea

1-anilino-3-phenyliminourea (PubChem CID 10860) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-anilino-3-phenyliminourea.

Molecular Properties

Compound Name1-anilino-3-phenyliminourea
PubChem CID10860
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-anilino-3-phenyliminourea
SMILESO=C(/N=N/c1ccccc1)NNc1ccccc1
InChIInChI=1S/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)/b17-15+
InChIKeyZFWAHZCOKGWUIT-BMRADRMJSA-N
XLogP3.51
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Phenylhydrazine
CID 7516
Hydrazobenzene
CID 31222
Acetylphenylhydrazine
CID 8247
Phenicarbazide
CID 61002
Diazoaminobenzene
CID 8689
Diphenylcarbazide
CID 8789
Carbonothioic dihydrazide, 2,2'-diphenyl-
CID 3032337
(Phenylazo)thioformic acid 2-phenylhydrazide
CID 657262
N'(1),N'(2)-Diphenylethanedihydrazide
CID 221850
Propionic acid phenylhydrazide
CID 88671
Hydrazinecarboxamide, N,2-diphenyl-
CID 69299
2-Phenylhydrazinecarboxaldehyde
CID 12154

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-phenyliminourea?
The IUPAC name of 1-anilino-3-phenyliminourea (CID 10860) is 1-anilino-3-phenyliminourea.
What is the SMILES notation for 1-anilino-3-phenyliminourea?
The canonical SMILES for 1-anilino-3-phenyliminourea is O=C(/N=N/c1ccccc1)NNc1ccccc1.
What is the InChIKey of 1-anilino-3-phenyliminourea?
The InChIKey is ZFWAHZCOKGWUIT-BMRADRMJSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)/b17-15+.
What are the key properties of 1-anilino-3-phenyliminourea?
1-anilino-3-phenyliminourea has a molecular weight of 240.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-phenyliminourea is sourced from PubChem (CID 10860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).