5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one

C19H19N3O — CID 67885622

IUPAC5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one
SMILESCc1[nH]cnc1C=C1CCCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C19H19N3O/c1-12-15(21-11-20-12)10-13-6-5-9-17-18(19(13)23)14-7-3-4-8-16(14)22(17)2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21)
InChIKeyRCHUCBOPDUJIEA-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.81
Rot. Bonds1

About 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one

5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one (PubChem CID 67885622) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one.

Molecular Properties

Compound Name5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one
PubChem CID67885622
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one
SMILESCc1[nH]cnc1C=C1CCCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C19H19N3O/c1-12-15(21-11-20-12)10-13-6-5-9-17-18(19(13)23)14-7-3-4-8-16(14)22(17)2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21)
InChIKeyRCHUCBOPDUJIEA-UHFFFAOYSA-N
XLogP3.81
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-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 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one?
The IUPAC name of 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one (CID 67885622) is 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one.
What is the SMILES notation for 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one?
The canonical SMILES for 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one is Cc1[nH]cnc1C=C1CCCc2c(c3ccccc3n2C)C1=O.
What is the InChIKey of 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one?
The InChIKey is RCHUCBOPDUJIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-12-15(21-11-20-12)10-13-6-5-9-17-18(19(13)23)14-7-3-4-8-16(14)22(17)2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21).
What are the key properties of 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one?
5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one has a molecular weight of 305.38 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one is sourced from PubChem (CID 67885622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).