1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone

C26H24F3N3OS — CID 167547079

About 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone

1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone (PubChem CID 167547079) has the molecular formula C26H24F3N3OS and a molecular weight of 483.56 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone.

Molecular Properties

• Compound Name: 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone
• PubChem CID: 167547079
• Molecular Formula: C26H24F3N3OS
• Molecular Weight: 483.56 g/mol
• Exact Mass: 483.16
• IUPAC Name: 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone
• SMILES: Cc1ccc(C(=O)C[C@H]2CCC[C@@H](n3c(-c4ccccn4)nc4cc(C(F)(F)F)ccc43)C2)s1
• InChI: InChI=1S/C26H24F3N3OS/c1-16-8-11-24(34-16)23(33)14-17-5-4-6-19(13-17)32-22-10-9-18(26(27,28)29)15-21(22)31-25(32)20-7-2-3-12-30-20/h2-3,7-12,15,17,19H,4-6,13-14H2,1H3/t17-,19+/m0/s1
• InChIKey: MOYIYDAKTLMZLV-PKOBYXMFSA-N
• XLogP: 7.49
• TPSA: 47.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.56
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone?

The IUPAC name of 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone (CID 167547079) is 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone.

What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone?

The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone is Cc1ccc(C(=O)C[C@H]2CCC[C@@H](n3c(-c4ccccn4)nc4cc(C(F)(F)F)ccc43)C2)s1.

What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone?

The InChIKey is MOYIYDAKTLMZLV-PKOBYXMFSA-N. The full InChI is InChI=1S/C26H24F3N3OS/c1-16-8-11-24(34-16)23(33)14-17-5-4-6-19(13-17)32-22-10-9-18(26(27,28)29)15-21(22)31-25(32)20-7-2-3-12-30-20/h2-3,7-12,15,17,19H,4-6,13-14H2,1H3/t17-,19+/m0/s1.

What are the key properties of 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone?

1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone has a molecular weight of 483.56 g/mol, XLogP of 7.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone is sourced from PubChem (CID 167547079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).