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

C18H22N2O — CID 137405870

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

trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 137405870) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol
• PubChem CID: 137405870
• Molecular Formula: C18H22N2O
• Molecular Weight: 282.39 g/mol
• Exact Mass: 282.17
• IUPAC Name: trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol
• SMILES: CC1(C)CCC[C@H](C2c3ccccc3-c3cncn32)[C@H]1O
• InChI: InChI=1S/C18H22N2O/c1-18(2)9-5-8-14(17(18)21)16-13-7-4-3-6-12(13)15-10-19-11-20(15)16/h3-4,6-7,10-11,14,16-17,21H,5,8-9H2,1-2H3/t14-,16?,17-/m1/s1
• InChIKey: VMJAMDJTSIOTKA-NZIKIWFDSA-N
• XLogP: 3.64
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.39
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol (CID 137405870) is trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol.

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

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

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

The InChIKey is VMJAMDJTSIOTKA-NZIKIWFDSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2)9-5-8-14(17(18)21)16-13-7-4-3-6-12(13)15-10-19-11-20(15)16/h3-4,6-7,10-11,14,16-17,21H,5,8-9H2,1-2H3/t14-,16?,17-/m1/s1.

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

trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 137405870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).