trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol

C19H24N2O — CID 137405869

About trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol

trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol (PubChem CID 137405869) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol
• PubChem CID: 137405869
• Molecular Formula: C19H24N2O
• Molecular Weight: 296.41 g/mol
• Exact Mass: 296.19
• IUPAC Name: trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol
• SMILES: CC1(C)CCC[C@@](C)(C2c3ccccc3-c3cncn32)[C@@H]1O
• InChI: InChI=1S/C19H24N2O/c1-18(2)9-6-10-19(3,17(18)22)16-14-8-5-4-7-13(14)15-11-20-12-21(15)16/h4-5,7-8,11-12,16-17,22H,6,9-10H2,1-3H3/t16?,17-,19+/m1/s1
• InChIKey: XPAWMBXKRLTUFL-QIONWKSUSA-N
• XLogP: 4.03
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.41
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol?

The IUPAC name of trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol (CID 137405869) is trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol.

What is the SMILES notation for trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol?

The canonical SMILES for trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol is CC1(C)CCC[C@@](C)(C2c3ccccc3-c3cncn32)[C@@H]1O.

What is the InChIKey of trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol?

The InChIKey is XPAWMBXKRLTUFL-QIONWKSUSA-N. The full InChI is InChI=1S/C19H24N2O/c1-18(2)9-6-10-19(3,17(18)22)16-14-8-5-4-7-13(14)15-11-20-12-21(15)16/h4-5,7-8,11-12,16-17,22H,6,9-10H2,1-3H3/t16?,17-,19+/m1/s1.

What are the key properties of trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol?

trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol is sourced from PubChem (CID 137405869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).