1-(C,N-diphenylcarbonimidoyl)-3-phenylurea

C20H17N3O — CID 135454305

IUPAC1-(C,N-diphenylcarbonimidoyl)-3-phenylurea
SMILESO=C(N/C(=N\c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H17N3O/c24-20(22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H,(H2,21,22,23,24)
InChIKeyKHYAMGNAALMZOM-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.59
Rot. Bonds3

About 1-(C,N-diphenylcarbonimidoyl)-3-phenylurea

1-(C,N-diphenylcarbonimidoyl)-3-phenylurea (PubChem CID 135454305) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(C,N-diphenylcarbonimidoyl)-3-phenylurea.

Molecular Properties

Compound Name1-(C,N-diphenylcarbonimidoyl)-3-phenylurea
PubChem CID135454305
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-(C,N-diphenylcarbonimidoyl)-3-phenylurea
SMILESO=C(N/C(=N\c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H17N3O/c24-20(22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H,(H2,21,22,23,24)
InChIKeyKHYAMGNAALMZOM-UHFFFAOYSA-N
XLogP4.59
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea
CID 135450794
1-N,4-N-bis[4-(N-methyl-N'-phenylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide
CID 135408645
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
3-oxo-N-(phenylcarbamoyl)butanamide
CID 10466039
N-(3,5-dichlorophenyl)-N'-phenylbenzenecarboximidamide
CID 4779422
methyl N-(phenylcarbamoyl)carbamate
CID 13097714
benzamide;phenylurea
CID 143432016
dimethylgallane;N,N'-diphenylethanimidamide
CID 173308791
1,1-diphenyl-3-(phenylcarbamoyl)urea
CID 71359478
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate
CID 122577817

Frequently Asked Questions

What is the IUPAC name of 1-(C,N-diphenylcarbonimidoyl)-3-phenylurea?
The IUPAC name of 1-(C,N-diphenylcarbonimidoyl)-3-phenylurea (CID 135454305) is 1-(C,N-diphenylcarbonimidoyl)-3-phenylurea.
What is the SMILES notation for 1-(C,N-diphenylcarbonimidoyl)-3-phenylurea?
The canonical SMILES for 1-(C,N-diphenylcarbonimidoyl)-3-phenylurea is O=C(N/C(=N\c1ccccc1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-(C,N-diphenylcarbonimidoyl)-3-phenylurea?
The InChIKey is KHYAMGNAALMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20(22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H,(H2,21,22,23,24).
What are the key properties of 1-(C,N-diphenylcarbonimidoyl)-3-phenylurea?
1-(C,N-diphenylcarbonimidoyl)-3-phenylurea has a molecular weight of 315.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C,N-diphenylcarbonimidoyl)-3-phenylurea is sourced from PubChem (CID 135454305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).