[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone

C22H19ClN4OS — CID 78845987

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 78845987) has the molecular formula C22H19ClN4OS and a molecular weight of 422.94 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone
• PubChem CID: 78845987
• Molecular Formula: C22H19ClN4OS
• Molecular Weight: 422.94 g/mol
• Exact Mass: 422.10
• IUPAC Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone
• SMILES: O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/C22H19ClN4OS/c23-16-5-3-4-15(12-16)21-26-19(13-29-21)22(28)27-10-8-14(9-11-27)20-24-17-6-1-2-7-18(17)25-20/h1-7,12-14H,8-11H2,(H,24,25)
• InChIKey: NSDPDUWJHFGHBF-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.94
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone?

The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone (CID 78845987) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone.

What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone?

The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1.

What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone?

The InChIKey is NSDPDUWJHFGHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4OS/c23-16-5-3-4-15(12-16)21-26-19(13-29-21)22(28)27-10-8-14(9-11-27)20-24-17-6-1-2-7-18(17)25-20/h1-7,12-14H,8-11H2,(H,24,25).

What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone?

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 422.94 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 78845987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).