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

C21H15N3O2 — CID 127253238

IUPAC6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1cnc[nH]1
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)10-9-13-11-22-12-23-13/h1-8,11-12H,9-10H2,(H,22,23)
InChIKeyZDHJEHIXROCNAQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.18
Rot. Bonds3

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

6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 127253238) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID127253238
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1cnc[nH]1
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)10-9-13-11-22-12-23-13/h1-8,11-12H,9-10H2,(H,22,23)
InChIKeyZDHJEHIXROCNAQ-UHFFFAOYSA-N
XLogP3.18
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

2-amino-N-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]-3-(1H-imidazol-5-yl)propanamide
CID 52943481
6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 127252618
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
6-[2-(3,4-dihydroxyphenyl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127252797
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
3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl 2-aminoacetate;hydrochloride
CID 52949231
4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione
CID 6735722
6-[(4R)-4,8-diamino-3-oxooctyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 52947984
6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127254868
6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 132968815

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 127253238) is 6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione is O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1cnc[nH]1.
What is the InChIKey of 6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is ZDHJEHIXROCNAQ-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)10-9-13-11-22-12-23-13/h1-8,11-12H,9-10H2,(H,22,23).
What are the key properties of 6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 341.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 127253238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).