1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea

C15H16N6O — CID 148941526

IUPAC1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
SMILESNC(N)=NN=Cc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H16N6O/c16-14(17)21-18-10-11-6-8-13(9-7-11)20-15(22)19-12-4-2-1-3-5-12/h1-10H,(H4,16,17,21)(H2,19,20,22)
InChIKeyPNZQZTJCYVYLDX-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.94
Rot. Bonds4

About 1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea

1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea (PubChem CID 148941526) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
PubChem CID148941526
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
SMILESNC(N)=NN=Cc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H16N6O/c16-14(17)21-18-10-11-6-8-13(9-7-11)20-15(22)19-12-4-2-1-3-5-12/h1-10H,(H4,16,17,21)(H2,19,20,22)
InChIKeyPNZQZTJCYVYLDX-UHFFFAOYSA-N
XLogP1.94
TPSA117.89 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 89220059
1-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-methylurea
CID 89220020
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide
CID 131882450
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
CID 5356929
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
3-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]prop-2-enoic acid
CID 54041306
[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] benzoate
CID 45146424
2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
CID 168590998
3-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenyl]propanoic acid
CID 5474676
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea (CID 148941526) is 1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea is NC(N)=NN=Cc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea?
The InChIKey is PNZQZTJCYVYLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c16-14(17)21-18-10-11-6-8-13(9-7-11)20-15(22)19-12-4-2-1-3-5-12/h1-10H,(H4,16,17,21)(H2,19,20,22).
What are the key properties of 1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea?
1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea has a molecular weight of 296.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea is sourced from PubChem (CID 148941526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).