3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide

C27H26F2N4O — CID 70947971

About 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide

3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide (PubChem CID 70947971) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
• PubChem CID: 70947971
• Molecular Formula: C27H26F2N4O
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.21
• IUPAC Name: 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
• SMILES: O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1cccc(F)c1)c1cccc(CF)c1
• InChI: InChI=1S/C27H26F2N4O/c28-17-19-6-4-7-21(14-19)26(34)31-27-30-24-15-20(18-32-12-2-1-3-13-32)10-11-25(24)33(27)23-9-5-8-22(29)16-23/h4-11,14-16H,1-3,12-13,17-18H2,(H,30,31,34)
• InChIKey: YGTFLNDTLZRUQF-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?

The IUPAC name of 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide (CID 70947971) is 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide.

What is the SMILES notation for 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?

The canonical SMILES for 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1cccc(F)c1)c1cccc(CF)c1.

What is the InChIKey of 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?

The InChIKey is YGTFLNDTLZRUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O/c28-17-19-6-4-7-21(14-19)26(34)31-27-30-24-15-20(18-32-12-2-1-3-13-32)10-11-25(24)33(27)23-9-5-8-22(29)16-23/h4-11,14-16H,1-3,12-13,17-18H2,(H,30,31,34).

What are the key properties of 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?

3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide has a molecular weight of 460.53 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 70947971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).