3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one

C30H20N4O3 — CID 3576922

IUPAC3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one
SMILESO=C1N=c2ccccc2=C1NN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)N=C1c1ccccc1
InChIInChI=1S/C30H20N4O3/c35-29-27(24-16-7-8-17-25(24)32-29)33-34-28(21-11-3-1-4-12-21)31-26(30(34)36)19-20-10-9-15-23(18-20)37-22-13-5-2-6-14-22/h1-19H,(H,32,33,35)
InChIKeyJNQKRMTWNAEYSS-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.58
Rot. Bonds6

About 3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one

3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one (PubChem CID 3576922) has the molecular formula C30H20N4O3 and a molecular weight of 484.52 g/mol. Its IUPAC name is 3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one.

Molecular Properties

Compound Name3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one
PubChem CID3576922
Molecular FormulaC30H20N4O3
Molecular Weight484.52 g/mol
Exact Mass484.15
IUPAC Name3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one
SMILESO=C1N=c2ccccc2=C1NN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)N=C1c1ccccc1
InChIInChI=1S/C30H20N4O3/c35-29-27(24-16-7-8-17-25(24)32-29)33-34-28(21-11-3-1-4-12-21)31-26(30(34)36)19-20-10-9-15-23(18-20)37-22-13-5-2-6-14-22/h1-19H,(H,32,33,35)
InChIKeyJNQKRMTWNAEYSS-UHFFFAOYSA-N
XLogP3.58
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-anilino-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 1256143
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
CID 1034537
5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-(5-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one
CID 135518444
(5Z)-5-[(3-nitrophenyl)methylidene]-3-[[[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]methylamino]-2-phenylimidazol-4-one
CID 5471430
(5E)-5-[(4-methoxyphenyl)methylidene]-3-[[4-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]phthalazin-1-yl]amino]-2-phenylimidazol-4-one
CID 99668741
5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
CID 1275583
2-[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]naphthalene-1,5-disulfonic acid
CID 3709834
(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 15483513
N-[4-benzamido-6-[[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]amino]-1,3,5-triazin-2-yl]benzamide
CID 1275624
2-(3-bromophenyl)-4-[(3-phenoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5041455
2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914434

Frequently Asked Questions

What is the IUPAC name of 3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one?
The IUPAC name of 3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one (CID 3576922) is 3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one.
What is the SMILES notation for 3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one?
The canonical SMILES for 3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one is O=C1N=c2ccccc2=C1NN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)N=C1c1ccccc1.
What is the InChIKey of 3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one?
The InChIKey is JNQKRMTWNAEYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O3/c35-29-27(24-16-7-8-17-25(24)32-29)33-34-28(21-11-3-1-4-12-21)31-26(30(34)36)19-20-10-9-15-23(18-20)37-22-13-5-2-6-14-22/h1-19H,(H,32,33,35).
What are the key properties of 3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one?
3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one has a molecular weight of 484.52 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one is sourced from PubChem (CID 3576922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).