(3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one

C19H13N3O2 — CID 70195685

IUPAC(3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(C(=O)c3ccccc3)cc2/C1=C/c1ncc[nH]1
InChIInChI=1S/C19H13N3O2/c23-18(12-4-2-1-3-5-12)13-6-7-16-14(10-13)15(19(24)22-16)11-17-20-8-9-21-17/h1-11H,(H,20,21)(H,22,24)/b15-11-
InChIKeyZQVLFPSEFRVKGB-PTNGSMBKSA-N
MW315.33 g/mol
LogP3.13
Rot. Bonds3

About (3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one

(3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 70195685) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is (3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
PubChem CID70195685
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name(3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(C(=O)c3ccccc3)cc2/C1=C/c1ncc[nH]1
InChIInChI=1S/C19H13N3O2/c23-18(12-4-2-1-3-5-12)13-6-7-16-14(10-13)15(19(24)22-16)11-17-20-8-9-21-17/h1-11H,(H,20,21)(H,22,24)/b15-11-
InChIKeyZQVLFPSEFRVKGB-PTNGSMBKSA-N
XLogP3.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzoyl-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 54393078
3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(pyridine-4-carbonyl)-1H-indol-2-one
CID 54199648
3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(pyridine-3-carbonyl)-1H-indol-2-one
CID 54458166
2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide
CID 70128127
(3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide
CID 70128125
(3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid
CID 112979206
benzyl 2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylate
CID 57055183
3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
CID 57095346
2-oxo-3-[(3-phenyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indole-5-carboxylic acid
CID 57188893
5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
CID 57220889
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
4-benzoyl-5-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid
CID 69054134

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one (CID 70195685) is (3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(C(=O)c3ccccc3)cc2/C1=C/c1ncc[nH]1.
What is the InChIKey of (3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is ZQVLFPSEFRVKGB-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-18(12-4-2-1-3-5-12)13-6-7-16-14(10-13)15(19(24)22-16)11-17-20-8-9-21-17/h1-11H,(H,20,21)(H,22,24)/b15-11-.
What are the key properties of (3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 315.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-benzoyl-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 70195685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).