N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide

C21H20FN7O — CID 122691314

About N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide

N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide (PubChem CID 122691314) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
• PubChem CID: 122691314
• Molecular Formula: C21H20FN7O
• Molecular Weight: 405.44 g/mol
• Exact Mass: 405.17
• IUPAC Name: N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
• SMILES: O=C(N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2[nH]1)c1ccccc1-n1nccn1
• InChI: InChI=1S/C21H20FN7O/c22-13-8-9-17-18(12-13)28-21(27-17)26-16-6-3-5-15(16)25-20(30)14-4-1-2-7-19(14)29-23-10-11-24-29/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,30)(H2,26,27,28)/t15-,16-/m0/s1
• InChIKey: PVYWYZVPJYKLCT-HOTGVXAUSA-N
• XLogP: 3.05
• TPSA: 100.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.44
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?

The IUPAC name of N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide (CID 122691314) is N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide.

What is the SMILES notation for N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?

The canonical SMILES for N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide is O=C(N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2[nH]1)c1ccccc1-n1nccn1.

What is the InChIKey of N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?

The InChIKey is PVYWYZVPJYKLCT-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H20FN7O/c22-13-8-9-17-18(12-13)28-21(27-17)26-16-6-3-5-15(16)25-20(30)14-4-1-2-7-19(14)29-23-10-11-24-29/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,30)(H2,26,27,28)/t15-,16-/m0/s1.

What are the key properties of N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?

N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide has a molecular weight of 405.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 122691314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).