(3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one

C17H13N3O — CID 137292411

IUPAC(3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one
SMILESCn1c(/C=C2/C(=O)Nc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H13N3O/c1-20-15-9-5-4-8-14(15)18-16(20)10-12-11-6-2-3-7-13(11)19-17(12)21/h2-10H,1H3,(H,19,21)/b12-10+
InChIKeyUKWXQKSSJMEKDT-ZRDIBKRKSA-N
MW275.31 g/mol
LogP3.07
Rot. Bonds1

About (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one

(3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 137292411) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one
PubChem CID137292411
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name(3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one
SMILESCn1c(/C=C2/C(=O)Nc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H13N3O/c1-20-15-9-5-4-8-14(15)18-16(20)10-12-11-6-2-3-7-13(11)19-17(12)21/h2-10H,1H3,(H,19,21)/b12-10+
InChIKeyUKWXQKSSJMEKDT-ZRDIBKRKSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one (CID 137292411) is (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one is Cn1c(/C=C2/C(=O)Nc3ccccc32)nc2ccccc21.
What is the InChIKey of (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is UKWXQKSSJMEKDT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H13N3O/c1-20-15-9-5-4-8-14(15)18-16(20)10-12-11-6-2-3-7-13(11)19-17(12)21/h2-10H,1H3,(H,19,21)/b12-10+.
What are the key properties of (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one?
(3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 275.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 137292411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).