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

C21H16N4O2 — CID 135995901

IUPAC1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H16N4O2/c26-20-19(17-8-4-5-9-18(17)25-20)22-15-10-12-16(13-11-15)24-21(27)23-14-6-2-1-3-7-14/h1-13H,(H,22,25,26)(H2,23,24,27)
InChIKeyWJTWGCCKHAGBQI-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.40
Rot. Bonds3

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

1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea (PubChem CID 135995901) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
PubChem CID135995901
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H16N4O2/c26-20-19(17-8-4-5-9-18(17)25-20)22-15-10-12-16(13-11-15)24-21(27)23-14-6-2-1-3-7-14/h1-13H,(H,22,25,26)(H2,23,24,27)
InChIKeyWJTWGCCKHAGBQI-UHFFFAOYSA-N
XLogP4.40
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995905
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-fluorophenyl)urea
CID 135995910
3-(4-iodophenyl)imino-1H-indol-2-one
CID 135411934
3-[4-[4-[4-[(2-oxo-1H-indol-3-ylidene)amino]benzoyl]piperazine-1-carbonyl]phenyl]imino-1H-indol-2-one
CID 137144313
3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135516462
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
2-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 135473450
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559242
N-(2-oxo-3-phenylimino-1H-indol-5-yl)ethanesulfonamide
CID 137003041
3-dibenzofuran-2-ylimino-1H-indol-2-one
CID 135739843

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea (CID 135995901) is 1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea?
The InChIKey is WJTWGCCKHAGBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-20-19(17-8-4-5-9-18(17)25-20)22-15-10-12-16(13-11-15)24-21(27)23-14-6-2-1-3-7-14/h1-13H,(H,22,25,26)(H2,23,24,27).
What are the key properties of 1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea?
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea has a molecular weight of 356.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea is sourced from PubChem (CID 135995901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).