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

C19H22N4O2S — CID 70781186

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

[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 70781186) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
• PubChem CID: 70781186
• Molecular Formula: C19H22N4O2S
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.15
• IUPAC Name: [3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
• SMILES: COc1nc(C)c(C(=O)N2CCCC(Cc3nc4ccccc4[nH]3)C2)s1
• InChI: InChI=1S/C19H22N4O2S/c1-12-17(26-19(20-12)25-2)18(24)23-9-5-6-13(11-23)10-16-21-14-7-3-4-8-15(14)22-16/h3-4,7-8,13H,5-6,9-11H2,1-2H3,(H,21,22)
• InChIKey: WYPHJJSGUKIPGQ-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone (CID 70781186) is [3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone.

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

The canonical SMILES for [3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone is COc1nc(C)c(C(=O)N2CCCC(Cc3nc4ccccc4[nH]3)C2)s1.

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

The InChIKey is WYPHJJSGUKIPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-17(26-19(20-12)25-2)18(24)23-9-5-6-13(11-23)10-16-21-14-7-3-4-8-15(14)22-16/h3-4,7-8,13H,5-6,9-11H2,1-2H3,(H,21,22).

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

[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 370.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 70781186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).