(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole

C16H12N2 — CID 137390311

IUPAC(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole
SMILESc1ccc([C@@H]2c3ccccc3-c3cncn32)cc1
InChIInChI=1S/C16H12N2/c1-2-6-12(7-3-1)16-14-9-5-4-8-13(14)15-10-17-11-18(15)16/h1-11,16H/t16-/m1/s1
InChIKeyXXAXMHPBIXOOEC-MRXNPFEDSA-N
MW232.29 g/mol
LogP3.50
Rot. Bonds1

About (5R)-5-phenyl-5H-imidazo[5,1-a]isoindole

(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole (PubChem CID 137390311) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is (5R)-5-phenyl-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole
PubChem CID137390311
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole
SMILESc1ccc([C@@H]2c3ccccc3-c3cncn32)cc1
InChIInChI=1S/C16H12N2/c1-2-6-12(7-3-1)16-14-9-5-4-8-13(14)15-10-17-11-18(15)16/h1-11,16H/t16-/m1/s1
InChIKeyXXAXMHPBIXOOEC-MRXNPFEDSA-N
XLogP3.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-5H-imidazo[5,1-a]isoindole?
The IUPAC name of (5R)-5-phenyl-5H-imidazo[5,1-a]isoindole (CID 137390311) is (5R)-5-phenyl-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for (5R)-5-phenyl-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for (5R)-5-phenyl-5H-imidazo[5,1-a]isoindole is c1ccc([C@@H]2c3ccccc3-c3cncn32)cc1.
What is the InChIKey of (5R)-5-phenyl-5H-imidazo[5,1-a]isoindole?
The InChIKey is XXAXMHPBIXOOEC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-6-12(7-3-1)16-14-9-5-4-8-13(14)15-10-17-11-18(15)16/h1-11,16H/t16-/m1/s1.
What are the key properties of (5R)-5-phenyl-5H-imidazo[5,1-a]isoindole?
(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole has a molecular weight of 232.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 137390311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).