1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea

C22H15N5O2 — CID 135995903

IUPAC1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C22H15N5O2/c23-13-14-5-7-16(8-6-14)25-22(29)26-17-11-9-15(10-12-17)24-20-18-3-1-2-4-19(18)27-21(20)28/h1-12H,(H,24,27,28)(H2,25,26,29)
InChIKeyWVTGOMUADLQPLS-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.28
Rot. Bonds3

About 1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea

1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea (PubChem CID 135995903) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
PubChem CID135995903
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
SMILESN#Cc1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C22H15N5O2/c23-13-14-5-7-16(8-6-14)25-22(29)26-17-11-9-15(10-12-17)24-20-18-3-1-2-4-19(18)27-21(20)28/h1-12H,(H,24,27,28)(H2,25,26,29)
InChIKeyWVTGOMUADLQPLS-UHFFFAOYSA-N
XLogP4.28
TPSA106.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
3-(Biphenyl-2-ylamino)-2h-indol-2-one
CID 135478723
(3E)-3-[(2,4-Dimethylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135502033
1,2-Dihydro-2-oxoquinazoline-4-carboxy-(4-methylphenyl)amide
CID 24749599
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea
CID 137062186
N-methyl-N-{4-[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]phenyl}acetamide
CID 135453574
3-((4-(Dimethylamino)phenyl)imino)indolin-2-one
CID 135402333
1-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-3-phenylurea
CID 44440756
(3Z)-3-({4-[(4-{[(3Z)-2-Oxo-2,3-dihydro-1H-indol-3-ylidene]amino}phenyl)methyl]phenyl}imino)-2,3-dihydro-1H-indol-2-one
CID 135448429
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
CID 135995901
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 135995902

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea (CID 135995903) is 1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea is N#Cc1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
The InChIKey is WVTGOMUADLQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c23-13-14-5-7-16(8-6-14)25-22(29)26-17-11-9-15(10-12-17)24-20-18-3-1-2-4-19(18)27-21(20)28/h1-12H,(H,24,27,28)(H2,25,26,29).
What are the key properties of 1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea?
1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea has a molecular weight of 381.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea is sourced from PubChem (CID 135995903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).