[5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone

C23H17Cl2F3N4OS — CID 118127507

About [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone

[5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 118127507) has the molecular formula C23H17Cl2F3N4OS and a molecular weight of 525.38 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 118127507
• Molecular Formula: C23H17Cl2F3N4OS
• Molecular Weight: 525.38 g/mol
• Exact Mass: 524.05
• IUPAC Name: [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
• SMILES: Cc1nc(C(=O)N2CCCC2c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c(-c2cccc(Cl)c2)s1
• InChI: InChI=1S/C23H17Cl2F3N4OS/c1-11-29-19(20(34-11)12-4-2-5-14(24)8-12)22(33)32-7-3-6-17(32)21-30-16-10-13(23(26,27)28)9-15(25)18(16)31-21/h2,4-5,8-10,17H,3,6-7H2,1H3,(H,30,31)
• InChIKey: VQMNNBZMCWRSFI-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.38
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone (CID 118127507) is [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone is Cc1nc(C(=O)N2CCCC2c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c(-c2cccc(Cl)c2)s1.

What is the InChIKey of [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is VQMNNBZMCWRSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F3N4OS/c1-11-29-19(20(34-11)12-4-2-5-14(24)8-12)22(33)32-7-3-6-17(32)21-30-16-10-13(23(26,27)28)9-15(25)18(16)31-21/h2,4-5,8-10,17H,3,6-7H2,1H3,(H,30,31).

What are the key properties of [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone?

[5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 525.38 g/mol, XLogP of 7.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118127507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).