1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea

C20H24ClN5O — CID 175672947

IUPAC1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea
SMILESC/C(=N\NC(=O)Nc1ccccc1Cl)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C20H24ClN5O/c1-15(23-24-20(27)22-19-6-4-3-5-18(19)21)16-7-9-17(10-8-16)26-13-11-25(2)12-14-26/h3-10H,11-14H2,1-2H3,(H2,22,24,27)/b23-15+
InChIKeyKWIQYTWADBDSST-HZHRSRAPSA-N
MW385.90 g/mol
LogP3.64
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea

1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea (PubChem CID 175672947) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea
PubChem CID175672947
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea
SMILESC/C(=N\NC(=O)Nc1ccccc1Cl)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C20H24ClN5O/c1-15(23-24-20(27)22-19-6-4-3-5-18(19)21)16-7-9-17(10-8-16)26-13-11-25(2)12-14-26/h3-10H,11-14H2,1-2H3,(H2,22,24,27)/b23-15+
InChIKeyKWIQYTWADBDSST-HZHRSRAPSA-N
XLogP3.64
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(2-chlorophenyl)-N'-{4-[(4-ethyl-1-piperazinyl)methyl]phenyl}urea
CID 5307266
1H-Pyrazole-1-carboxamide, 4,5-dihydro-3-(4-chlorophenyl)-N-(4-propylphenyl)-
CID 3039559
1-(3-chloro-2-methyl-phenyl)-3-[(E)-(4-dimethylaminophenyl)methyleneamino]urea
CID 9567649
1-(2-chlorophenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155542425
1-(Benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea
CID 155542632
1-(Benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea
CID 155544542
1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155562493
1-(Benzhydrylideneamino)-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]urea
CID 155568362
4-(2-chlorophenyl)-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]piperazine-1-carboxamide
CID 178319892
N-(2-Chlorophenyl)-2-(2-(4-(dimethylamino)benzylidene)hydrazino)-2-oxoacetamide
CID 9631882
1-(2-chlorophenyl)-3-(2-(6-oxo-3-phenylpyridazin-1(6H)-yl)ethyl)urea
CID 25816651
1-(2-chlorophenyl)-3-[(E)-1-(4-methylphenyl)ethylideneamino]urea
CID 76309442

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea (CID 175672947) is 1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea is C/C(=N\NC(=O)Nc1ccccc1Cl)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea?
The InChIKey is KWIQYTWADBDSST-HZHRSRAPSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-15(23-24-20(27)22-19-6-4-3-5-18(19)21)16-7-9-17(10-8-16)26-13-11-25(2)12-14-26/h3-10H,11-14H2,1-2H3,(H2,22,24,27)/b23-15+.
What are the key properties of 1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea?
1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea has a molecular weight of 385.90 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethylideneamino]urea is sourced from PubChem (CID 175672947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).