cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid

C21H28FN3O2 — CID 67214295

About cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid

cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 67214295) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

• Compound Name: cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid
• PubChem CID: 67214295
• Molecular Formula: C21H28FN3O2
• Molecular Weight: 373.47 g/mol
• Exact Mass: 373.22
• IUPAC Name: cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid
• SMILES: CC(C)(C)[C@@H](c1ncc(-c2ccc(F)cc2)[nH]1)N(C(=O)O)C1CCCCC1
• InChI: InChI=1S/C21H28FN3O2/c1-21(2,3)18(25(20(26)27)16-7-5-4-6-8-16)19-23-13-17(24-19)14-9-11-15(22)12-10-14/h9-13,16,18H,4-8H2,1-3H3,(H,23,24)(H,26,27)/t18-/m1/s1
• InChIKey: JHVLXVHQZMWMKN-GOSISDBHSA-N
• XLogP: 5.62
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	373.47
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

The IUPAC name of cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid (CID 67214295) is cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid.

What is the SMILES notation for cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

The canonical SMILES for cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid is CC(C)(C)[C@@H](c1ncc(-c2ccc(F)cc2)[nH]1)N(C(=O)O)C1CCCCC1.

What is the InChIKey of cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

The InChIKey is JHVLXVHQZMWMKN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-21(2,3)18(25(20(26)27)16-7-5-4-6-8-16)19-23-13-17(24-19)14-9-11-15(22)12-10-14/h9-13,16,18H,4-8H2,1-3H3,(H,23,24)(H,26,27)/t18-/m1/s1.

What are the key properties of cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid?

cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 373.47 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 67214295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).