(1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol

C23H30N2O — CID 122499172

About (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol

(1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol (PubChem CID 122499172) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol.

Molecular Properties

• Compound Name: (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
• PubChem CID: 122499172
• Molecular Formula: C23H30N2O
• Molecular Weight: 350.51 g/mol
• Exact Mass: 350.24
• IUPAC Name: (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
• SMILES: CCC1CC2CCC([C@H](O)C[C@@H]3c4ccccc4-c4cncn43)C(C1)C2
• InChI: InChI=1S/C23H30N2O/c1-2-15-9-16-7-8-18(17(10-15)11-16)23(26)12-21-19-5-3-4-6-20(19)22-13-24-14-25(21)22/h3-6,13-18,21,23,26H,2,7-12H2,1H3/t15?,16?,17?,18?,21-,23-/m1/s1
• InChIKey: RDQILQROFPGJMM-DCYLWLJKSA-N
• XLogP: 5.06
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.51
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?

The IUPAC name of (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol (CID 122499172) is (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol.

What is the SMILES notation for (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?

The canonical SMILES for (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol is CCC1CC2CCC([C@H](O)C[C@@H]3c4ccccc4-c4cncn43)C(C1)C2.

What is the InChIKey of (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?

The InChIKey is RDQILQROFPGJMM-DCYLWLJKSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-15-9-16-7-8-18(17(10-15)11-16)23(26)12-21-19-5-3-4-6-20(19)22-13-24-14-25(21)22/h3-6,13-18,21,23,26H,2,7-12H2,1H3/t15?,16?,17?,18?,21-,23-/m1/s1.

What are the key properties of (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?

(1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol has a molecular weight of 350.51 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol is sourced from PubChem (CID 122499172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).