5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile

C23H18F3N3O3S — CID 11655827

About 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile

5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile (PubChem CID 11655827) has the molecular formula C23H18F3N3O3S and a molecular weight of 473.48 g/mol. Its IUPAC name is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile.

Molecular Properties

• Compound Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile
• PubChem CID: 11655827
• Molecular Formula: C23H18F3N3O3S
• Molecular Weight: 473.48 g/mol
• Exact Mass: 473.10
• IUPAC Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile
• SMILES: COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(C#N)s3)c2cc1OC
• InChI: InChI=1S/C23H18F3N3O3S/c1-13(14-6-4-5-7-15(14)23(24,25)26)32-20-10-22(33-21(20)11-27)29-12-28-16-8-18(30-2)19(31-3)9-17(16)29/h4-10,12-13H,1-3H3/t13-/m1/s1
• InChIKey: ZBDAQPLOODCBHP-CYBMUJFWSA-N
• XLogP: 6.13
• TPSA: 69.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.48
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile?

The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile (CID 11655827) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile.

What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile?

The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile is COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(C#N)s3)c2cc1OC.

What is the InChIKey of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile?

The InChIKey is ZBDAQPLOODCBHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H18F3N3O3S/c1-13(14-6-4-5-7-15(14)23(24,25)26)32-20-10-22(33-21(20)11-27)29-12-28-16-8-18(30-2)19(31-3)9-17(16)29/h4-10,12-13H,1-3H3/t13-/m1/s1.

What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile?

5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile has a molecular weight of 473.48 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carbonitrile is sourced from PubChem (CID 11655827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).