5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole

C19H19N3 — CID 175231273

IUPAC5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole
SMILESCC1C=C2CC(C3c4ccccc4-c4cncn43)CCC2=N1
InChIInChI=1S/C19H19N3/c1-12-8-14-9-13(6-7-17(14)21-12)19-16-5-3-2-4-15(16)18-10-20-11-22(18)19/h2-5,8,10-13,19H,6-7,9H2,1H3
InChIKeyVRERDRICVLDZAE-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.02
Rot. Bonds1

About 5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole

5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole (PubChem CID 175231273) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole
PubChem CID175231273
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole
SMILESCC1C=C2CC(C3c4ccccc4-c4cncn43)CCC2=N1
InChIInChI=1S/C19H19N3/c1-12-8-14-9-13(6-7-17(14)21-12)19-16-5-3-2-4-15(16)18-10-20-11-22(18)19/h2-5,8,10-13,19H,6-7,9H2,1H3
InChIKeyVRERDRICVLDZAE-UHFFFAOYSA-N
XLogP4.02
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole (CID 175231273) is 5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole is CC1C=C2CC(C3c4ccccc4-c4cncn43)CCC2=N1.
What is the InChIKey of 5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole?
The InChIKey is VRERDRICVLDZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-12-8-14-9-13(6-7-17(14)21-12)19-16-5-3-2-4-15(16)18-10-20-11-22(18)19/h2-5,8,10-13,19H,6-7,9H2,1H3.
What are the key properties of 5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole?
5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole has a molecular weight of 289.38 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4,5,6,7-tetrahydro-2H-indol-5-yl)-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 175231273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).