6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione

C21H15N3O2 — CID 127252618

IUPAC6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCn1ccnc1
InChIInChI=1S/C21H15N3O2/c25-20-16-7-3-2-6-15(16)19-18(20)14-5-1-4-8-17(14)21(26)24(19)12-11-23-10-9-22-13-23/h1-10,13H,11-12H2
InChIKeyMBUQTGNRHRSPLU-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.11
Rot. Bonds3

About 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione

6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 127252618) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID127252618
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCn1ccnc1
InChIInChI=1S/C21H15N3O2/c25-20-16-7-3-2-6-15(16)19-18(20)14-5-1-4-8-17(14)21(26)24(19)12-11-23-10-9-22-13-23/h1-10,13H,11-12H2
InChIKeyMBUQTGNRHRSPLU-UHFFFAOYSA-N
XLogP3.11
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

Analyze 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione with MolForge

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

Launch Full Analysis

Related Compounds

methyl 6-(3-imidazol-1-ylpropyl)-5,11-dioxoindeno[1,2-c]isoquinoline-3-carboxylate
CID 71600958
6-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 158110774
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253238
2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
CID 59799530
6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 11291330
6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 2826374
6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 54581116
2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide
CID 52946484
9-(3-imidazol-1-ylpropyl)-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
CID 53474021
6-(3-imidazol-1-ylpropyl)-2,3-dimethoxy-8,9-bis(phenylmethoxy)indeno[1,2-c]isoquinoline-5,11-dione
CID 71541219
6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 52947984

Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione (CID 127252618) is 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione is O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCn1ccnc1.
What is the InChIKey of 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is MBUQTGNRHRSPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-20-16-7-3-2-6-15(16)19-18(20)14-5-1-4-8-17(14)21(26)24(19)12-11-23-10-9-22-13-23/h1-10,13H,11-12H2.
What are the key properties of 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione?
6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 341.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 127252618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).