[(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea

C20H16N4O2 — CID 23647594

IUPAC[(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea
SMILESNC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3ccccc3)c[nH]1)C(=O)N2
InChIInChI=1S/C20H16N4O2/c21-20(26)23-14-6-7-18-16(9-14)17(19(25)24-18)10-15-8-13(11-22-15)12-4-2-1-3-5-12/h1-11,22H,(H,24,25)(H3,21,23,26)/b17-10-
InChIKeySOZLQZRDILXEMY-YVLHZVERSA-N
MW344.37 g/mol
LogP3.66
Rot. Bonds3

About [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea

[(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea (PubChem CID 23647594) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea.

Molecular Properties

Compound Name[(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea
PubChem CID23647594
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name[(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea
SMILESNC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3ccccc3)c[nH]1)C(=O)N2
InChIInChI=1S/C20H16N4O2/c21-20(26)23-14-6-7-18-16(9-14)17(19(25)24-18)10-15-8-13(11-22-15)12-4-2-1-3-5-12/h1-11,22H,(H,24,25)(H3,21,23,26)/b17-10-
InChIKeySOZLQZRDILXEMY-YVLHZVERSA-N
XLogP3.66
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea with MolForge

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Related Compounds

3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Indole-3-acetamide
CID 397
Bisindolylmaleimide VIII
CID 2403
Pf-06840003
CID 23063810
N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-1H-indole-3-acetamide
CID 131007
4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
CID 5311258
Slv-310
CID 9888211
Gnf-5837
CID 59397065
Iron oxide, spent
CID 5327711
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
Arcyriarubin A
CID 2399
Trisindoline
CID 2883607

Frequently Asked Questions

What is the IUPAC name of [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea?
The IUPAC name of [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea (CID 23647594) is [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea.
What is the SMILES notation for [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea?
The canonical SMILES for [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea is NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3ccccc3)c[nH]1)C(=O)N2.
What is the InChIKey of [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea?
The InChIKey is SOZLQZRDILXEMY-YVLHZVERSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-20(26)23-14-6-7-18-16(9-14)17(19(25)24-18)10-15-8-13(11-22-15)12-4-2-1-3-5-12/h1-11,22H,(H,24,25)(H3,21,23,26)/b17-10-.
What are the key properties of [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea?
[(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea has a molecular weight of 344.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-oxo-3-[(4-phenyl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea is sourced from PubChem (CID 23647594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).