N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide

C26H25F4N5O — CID 155165361

About N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide

N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 155165361) has the molecular formula C26H25F4N5O and a molecular weight of 499.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 155165361
• Molecular Formula: C26H25F4N5O
• Molecular Weight: 499.51 g/mol
• Exact Mass: 499.20
• IUPAC Name: N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide
• SMILES: CN(C)C(=O)c1ccc2nc(C(N3CCC(c4ccnc5ccc(F)cc45)CC3)C(F)(F)F)[nH]c2c1
• InChI: InChI=1S/C26H25F4N5O/c1-34(2)25(36)16-3-5-21-22(13-16)33-24(32-21)23(26(28,29)30)35-11-8-15(9-12-35)18-7-10-31-20-6-4-17(27)14-19(18)20/h3-7,10,13-15,23H,8-9,11-12H2,1-2H3,(H,32,33)
• InChIKey: VQGYFEJBHFZFKW-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.51
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide (CID 155165361) is N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide is CN(C)C(=O)c1ccc2nc(C(N3CCC(c4ccnc5ccc(F)cc45)CC3)C(F)(F)F)[nH]c2c1.

What is the InChIKey of N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide?

The InChIKey is VQGYFEJBHFZFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N5O/c1-34(2)25(36)16-3-5-21-22(13-16)33-24(32-21)23(26(28,29)30)35-11-8-15(9-12-35)18-7-10-31-20-6-4-17(27)14-19(18)20/h3-7,10,13-15,23H,8-9,11-12H2,1-2H3,(H,32,33).

What are the key properties of N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide?

N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 499.51 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[2,2,2-trifluoro-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 155165361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).