1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea

C25H28N4O — CID 155544542

IUPAC1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea
SMILESCCN(CC)Cc1ccc(NC(=O)NN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N4O/c1-3-29(4-2)19-20-15-17-23(18-16-20)26-25(30)28-27-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18H,3-4,19H2,1-2H3,(H2,26,28,30)
InChIKeyFXGATYZTDNGXQN-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.10
Rot. Bonds8

About 1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea

1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea (PubChem CID 155544542) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea.

Molecular Properties

Compound Name1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea
PubChem CID155544542
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea
SMILESCCN(CC)Cc1ccc(NC(=O)NN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N4O/c1-3-29(4-2)19-20-15-17-23(18-16-20)26-25(30)28-27-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18H,3-4,19H2,1-2H3,(H2,26,28,30)
InChIKeyFXGATYZTDNGXQN-UHFFFAOYSA-N
XLogP5.10
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.10
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

Metrazifone
CID 68877
Acetamide, N-[4-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)phenyl]-
CID 3292253
1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
CID 6373500
1-Phenylethanone N-phenylsemicarbazone
CID 9584792
2-[(5-cyano-6-oxo-3,4-diphenyl-1(6H)-pyridazinyl)acetyl]-N-(4-methylphenyl)hydrazinecarboxamide
CID 990304
4-(Diethylamino)benzaldehyde semicarbazone
CID 5337527
(2E)-2-[4-(diethylamino)benzylidene]-N-phenylhydrazinecarboxamide
CID 5406562
1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea
CID 5407232
2-methyl-1-phenyl-1-propanone N-phenylsemicarbazone
CID 5411019
3,5-bis(4-fluorophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 10833431
3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 11841121
2-(Diphenylmethylene)-N-(4-methylphenyl)hydrazinecarbothioamide
CID 46228128

Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea?
The IUPAC name of 1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea (CID 155544542) is 1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea.
What is the SMILES notation for 1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea?
The canonical SMILES for 1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea is CCN(CC)Cc1ccc(NC(=O)NN=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea?
The InChIKey is FXGATYZTDNGXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-3-29(4-2)19-20-15-17-23(18-16-20)26-25(30)28-27-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18H,3-4,19H2,1-2H3,(H2,26,28,30).
What are the key properties of 1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea?
1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea has a molecular weight of 400.53 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea is sourced from PubChem (CID 155544542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).