1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea

C23H24N4O — CID 155542632

IUPAC1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea
SMILESCN(C)Cc1ccc(NC(=O)NN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N4O/c1-27(2)17-18-13-15-21(16-14-18)24-23(28)26-25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H2,24,26,28)
InChIKeyCZDDIBMYNNZCII-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.32
Rot. Bonds6

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

1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea (PubChem CID 155542632) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea
PubChem CID155542632
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea
SMILESCN(C)Cc1ccc(NC(=O)NN=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N4O/c1-27(2)17-18-13-15-21(16-14-18)24-23(28)26-25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H2,24,26,28)
InChIKeyCZDDIBMYNNZCII-UHFFFAOYSA-N
XLogP4.32
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.32
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

Diacetyldiphenylurea bisguanylhydrazone
CID 6328182
4-(Dimethylamino)benzaldehyde N-phenylthiosemicarbazone
CID 6862754
Metrazifone
CID 68877
1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
CID 6373500
1-Phenylethanone N-phenylsemicarbazone
CID 9584792
(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
5-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134139055

Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea?
The IUPAC name of 1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea (CID 155542632) is 1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea.
What is the SMILES notation for 1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea?
The canonical SMILES for 1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea is CN(C)Cc1ccc(NC(=O)NN=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea?
The InChIKey is CZDDIBMYNNZCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-27(2)17-18-13-15-21(16-14-18)24-23(28)26-25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H2,24,26,28).
What are the key properties of 1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea?
1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea has a molecular weight of 372.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea is sourced from PubChem (CID 155542632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).