2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile

C23H16ClF3N6O — CID 68789449

About 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile

2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile (PubChem CID 68789449) has the molecular formula C23H16ClF3N6O and a molecular weight of 484.87 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile.

Molecular Properties

• Compound Name: 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile
• PubChem CID: 68789449
• Molecular Formula: C23H16ClF3N6O
• Molecular Weight: 484.87 g/mol
• Exact Mass: 484.10
• IUPAC Name: 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile
• SMILES: N#Cc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(-c2nc(C3CCC(F)(F)CC3)no2)nc1
• InChI: InChI=1S/C23H16ClF3N6O/c24-14-2-1-3-15(25)18(14)21-30-17(10-28)19(31-21)13-4-5-16(29-11-13)22-32-20(33-34-22)12-6-8-23(26,27)9-7-12/h1-5,11-12H,6-9H2,(H,30,31)
• InChIKey: WWJSCCJOMDSSTC-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 104.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.87
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile?

The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile (CID 68789449) is 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile.

What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile?

The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile is N#Cc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(-c2nc(C3CCC(F)(F)CC3)no2)nc1.

What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile?

The InChIKey is WWJSCCJOMDSSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N6O/c24-14-2-1-3-15(25)18(14)21-30-17(10-28)19(31-21)13-4-5-16(29-11-13)22-32-20(33-34-22)12-6-8-23(26,27)9-7-12/h1-5,11-12H,6-9H2,(H,30,31).

What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile?

2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile has a molecular weight of 484.87 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile is sourced from PubChem (CID 68789449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).