(3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one

C18H13N3O — CID 6270282

IUPAC(3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H13N3O/c22-18-15(14-8-4-5-9-16(14)21-18)10-13-11-19-17(20-13)12-6-2-1-3-7-12/h1-11H,(H,19,20)(H,21,22)/b15-10+
InChIKeyFBXNYCPVKALBHC-XNTDXEJSSA-N
MW287.32 g/mol
LogP3.57
Rot. Bonds2

About (3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one

(3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one (PubChem CID 6270282) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is (3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
PubChem CID6270282
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name(3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H13N3O/c22-18-15(14-8-4-5-9-16(14)21-18)10-13-11-19-17(20-13)12-6-2-1-3-7-12/h1-11H,(H,19,20)(H,21,22)/b15-10+
InChIKeyFBXNYCPVKALBHC-XNTDXEJSSA-N
XLogP3.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 6419833
3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one
CID 54199953
(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one
CID 166225937
CID 57369962
CID 57369962
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(NE)-N-[(2-phenyl-1H-imidazol-5-yl)methylidene]hydroxylamine
CID 135445586
(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
CID 171989370
3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
CID 75299455
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one (CID 6270282) is (3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of (3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one?
The InChIKey is FBXNYCPVKALBHC-XNTDXEJSSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18-15(14-8-4-5-9-16(14)21-18)10-13-11-19-17(20-13)12-6-2-1-3-7-12/h1-11H,(H,19,20)(H,21,22)/b15-10+.
What are the key properties of (3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one?
(3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one has a molecular weight of 287.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 6270282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).