[2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone

C24H21F3N4O2S — CID 23146360

About [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone

[2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone (PubChem CID 23146360) has the molecular formula C24H21F3N4O2S and a molecular weight of 486.52 g/mol. Its IUPAC name is [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone
• PubChem CID: 23146360
• Molecular Formula: C24H21F3N4O2S
• Molecular Weight: 486.52 g/mol
• Exact Mass: 486.13
• IUPAC Name: [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone
• SMILES: COc1nc(C(=O)N2CCCCC2Cc2nc3cc(F)c(F)cc3[nH]2)c(-c2ccc(F)cc2)s1
• InChI: InChI=1S/C24H21F3N4O2S/c1-33-24-30-21(22(34-24)13-5-7-14(25)8-6-13)23(32)31-9-3-2-4-15(31)10-20-28-18-11-16(26)17(27)12-19(18)29-20/h5-8,11-12,15H,2-4,9-10H2,1H3,(H,28,29)
• InChIKey: MFWICARIYNYHCG-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.52
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone?

The IUPAC name of [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone (CID 23146360) is [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone.

What is the SMILES notation for [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone?

The canonical SMILES for [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone is COc1nc(C(=O)N2CCCCC2Cc2nc3cc(F)c(F)cc3[nH]2)c(-c2ccc(F)cc2)s1.

What is the InChIKey of [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone?

The InChIKey is MFWICARIYNYHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2S/c1-33-24-30-21(22(34-24)13-5-7-14(25)8-6-13)23(32)31-9-3-2-4-15(31)10-20-28-18-11-16(26)17(27)12-19(18)29-20/h5-8,11-12,15H,2-4,9-10H2,1H3,(H,28,29).

What are the key properties of [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone?

[2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone has a molecular weight of 486.52 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methoxy-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 23146360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).