N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen

C54H84N8O6 — CID 159468566

About N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen

N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen (PubChem CID 159468566) has the molecular formula C54H84N8O6 and a molecular weight of 949.36 g/mol. Its IUPAC name is N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen
• PubChem CID: 159468566
• Molecular Formula: C54H84N8O6
• Molecular Weight: 949.36 g/mol
• Exact Mass: 948.70
• IUPAC Name: N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen
• SMILES: [2H]C1=C(c2nc(C3CC(C)(C)OC(C)(CO)C3)ccc2NC(=O)c2ncc(C)[nH]2)C([2H])([2H])C([2H])C(C)(C)C1.[2H]C1=C(c2nc(C3CC(C)(C)OC(C)(CO)C3)ccc2NC(=O)c2ncc(C)[nH]2)C([2H])([2H])CC(C)(C)C1[2H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/2C27H38N4O3.4H2/c2*1-17-15-28-23(29-17)24(33)31-21-8-7-20(19-13-26(4,5)34-27(6,14-19)16-32)30-22(21)18-9-11-25(2,3)12-10-18;;;;/h2*7-9,15,19,32H,10-14,16H2,1-6H3,(H,28,29)(H,31,33);4*1H/i9D,10D2,12D;9D,10D2,11D
• InChIKey: LVMRLSKDBDWNAL-RSWXOWGESA-N
• XLogP: 11.75
• TPSA: 200.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.36
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen?

The IUPAC name of N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen (CID 159468566) is N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen?

The canonical SMILES for N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen is [2H]C1=C(c2nc(C3CC(C)(C)OC(C)(CO)C3)ccc2NC(=O)c2ncc(C)[nH]2)C([2H])([2H])C([2H])C(C)(C)C1.[2H]C1=C(c2nc(C3CC(C)(C)OC(C)(CO)C3)ccc2NC(=O)c2ncc(C)[nH]2)C([2H])([2H])CC(C)(C)C1[2H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen?

The InChIKey is LVMRLSKDBDWNAL-RSWXOWGESA-N. The full InChI is InChI=1S/2C27H38N4O3.4H2/c2*1-17-15-28-23(29-17)24(33)31-21-8-7-20(19-13-26(4,5)34-27(6,14-19)16-32)30-22(21)18-9-11-25(2,3)12-10-18;;;;/h2*7-9,15,19,32H,10-14,16H2,1-6H3,(H,28,29)(H,31,33);4*1H/i9D,10D2,12D;9D,10D2,11D;;;;.

What are the key properties of N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen?

N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen has a molecular weight of 949.36 g/mol, XLogP of 11.75, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,3,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-2-(2,5,6,6-tetradeuterio-4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159468566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).