2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C19H14ClFN4OS2 — CID 1470406

About 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1470406) has the molecular formula C19H14ClFN4OS2 and a molecular weight of 432.93 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 1470406
• Molecular Formula: C19H14ClFN4OS2
• Molecular Weight: 432.93 g/mol
• Exact Mass: 432.03
• IUPAC Name: 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(CSc1nc2ccccc2n1Cc1c(F)cccc1Cl)Nc1nccs1
• InChI: InChI=1S/C19H14ClFN4OS2/c20-13-4-3-5-14(21)12(13)10-25-16-7-2-1-6-15(16)23-19(25)28-11-17(26)24-18-22-8-9-27-18/h1-9H,10-11H2,(H,22,24,26)
• InChIKey: JJUIMGBTMHBKPF-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.93
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 1470406) is 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2n1Cc1c(F)cccc1Cl)Nc1nccs1.

What is the InChIKey of 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is JJUIMGBTMHBKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4OS2/c20-13-4-3-5-14(21)12(13)10-25-16-7-2-1-6-15(16)23-19(25)28-11-17(26)24-18-22-8-9-27-18/h1-9H,10-11H2,(H,22,24,26).

What are the key properties of 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?

2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 432.93 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1470406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).