(2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C25H24N6O2S — CID 66840347

About (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

(2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840347) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• PubChem CID: 66840347
• Molecular Formula: C25H24N6O2S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.17
• IUPAC Name: (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• SMILES: O=C(c1ccc2nc(-c3ccccc3)[nH]c2c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
• InChI: InChI=1S/C25H24N6O2S/c32-24(18-6-7-20-21(14-18)28-22(27-20)17-4-2-1-3-5-17)31-15-19(16-31)29-9-11-30(12-10-29)25(33)23-26-8-13-34-23/h1-8,13-14,19H,9-12,15-16H2,(H,27,28)
• InChIKey: JEPWBICIVSNWON-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 85.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The IUPAC name of (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840347) is (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

What is the SMILES notation for (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The canonical SMILES for (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1ccc2nc(-c3ccccc3)[nH]c2c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.

What is the InChIKey of (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The InChIKey is JEPWBICIVSNWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c32-24(18-6-7-20-21(14-18)28-22(27-20)17-4-2-1-3-5-17)31-15-19(16-31)29-9-11-30(12-10-29)25(33)23-26-8-13-34-23/h1-8,13-14,19H,9-12,15-16H2,(H,27,28).

What are the key properties of (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

(2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 472.57 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).