5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide

C26H34F2N4O3 — CID 161444021

About 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide

5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide (PubChem CID 161444021) has the molecular formula C26H34F2N4O3 and a molecular weight of 488.58 g/mol. Its IUPAC name is 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide
• PubChem CID: 161444021
• Molecular Formula: C26H34F2N4O3
• Molecular Weight: 488.58 g/mol
• Exact Mass: 488.26
• IUPAC Name: 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide
• SMILES: Cc1nc(C(=O)NC[C@H]2CC[C@H](C)C[C@@H]2O)c(C#N)n1-c1ccc(CC(C)(C)C)cc1OC(F)F
• InChI: InChI=1S/C26H34F2N4O3/c1-15-6-8-18(21(33)10-15)14-30-24(34)23-20(13-29)32(16(2)31-23)19-9-7-17(12-26(3,4)5)11-22(19)35-25(27)28/h7,9,11,15,18,21,25,33H,6,8,10,12,14H2,1-5H3,(H,30,34)/t15-,18+,21-/m0/s1
• InChIKey: LXHWJSUWUSDASV-KLHJMIIUSA-N
• XLogP: 4.77
• TPSA: 100.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.58
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide?

The IUPAC name of 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide (CID 161444021) is 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide.

What is the SMILES notation for 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide?

The canonical SMILES for 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide is Cc1nc(C(=O)NC[C@H]2CC[C@H](C)C[C@@H]2O)c(C#N)n1-c1ccc(CC(C)(C)C)cc1OC(F)F.

What is the InChIKey of 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide?

The InChIKey is LXHWJSUWUSDASV-KLHJMIIUSA-N. The full InChI is InChI=1S/C26H34F2N4O3/c1-15-6-8-18(21(33)10-15)14-30-24(34)23-20(13-29)32(16(2)31-23)19-9-7-17(12-26(3,4)5)11-22(19)35-25(27)28/h7,9,11,15,18,21,25,33H,6,8,10,12,14H2,1-5H3,(H,30,34)/t15-,18+,21-/m0/s1.

What are the key properties of 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide?

5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide has a molecular weight of 488.58 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 161444021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).