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

C23H30N2O — CID 122499172

IUPAC(1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
SMILESCCC1CC2CCC([C@H](O)C[C@@H]3c4ccccc4-c4cncn43)C(C1)C2
InChIInChI=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
InChIKeyRDQILQROFPGJMM-DCYLWLJKSA-N
MW350.51 g/mol
LogP5.06
Rot. Bonds4

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 CID122499172
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(1R)-1-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
SMILESCCC1CC2CCC([C@H](O)C[C@@H]3c4ccccc4-c4cncn43)C(C1)C2
InChIInChI=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
InChIKeyRDQILQROFPGJMM-DCYLWLJKSA-N
XLogP5.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).