1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid

C28H26N4O2S — CID 5276046

About 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid

1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid (PubChem CID 5276046) has the molecular formula C28H26N4O2S and a molecular weight of 482.61 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid
• PubChem CID: 5276046
• Molecular Formula: C28H26N4O2S
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.18
• IUPAC Name: 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid
• SMILES: Cc1nc(C)c(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)s1
• InChI: InChI=1S/C28H26N4O2S/c1-16-26(35-17(2)29-16)23-12-8-18-14-19(9-11-22(18)30-23)27-31-24-15-20(28(33)34)10-13-25(24)32(27)21-6-4-3-5-7-21/h8-15,21H,3-7H2,1-2H3,(H,33,34)
• InChIKey: AWUOFHKEIYORIK-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 80.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid?

The IUPAC name of 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid (CID 5276046) is 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid.

What is the SMILES notation for 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid?

The canonical SMILES for 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid is Cc1nc(C)c(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)s1.

What is the InChIKey of 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid?

The InChIKey is AWUOFHKEIYORIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2S/c1-16-26(35-17(2)29-16)23-12-8-18-14-19(9-11-22(18)30-23)27-31-24-15-20(28(33)34)10-13-25(24)32(27)21-6-4-3-5-7-21/h8-15,21H,3-7H2,1-2H3,(H,33,34).

What are the key properties of 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid?

1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid has a molecular weight of 482.61 g/mol, XLogP of 7.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 5276046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).