1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide

C20H21F3N4O2S — CID 135377823

About 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide

1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 135377823) has the molecular formula C20H21F3N4O2S and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide
• PubChem CID: 135377823
• Molecular Formula: C20H21F3N4O2S
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.13
• IUPAC Name: 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide
• SMILES: C[C@@H](NC(=O)C1CCN(c2nc3ccccc3[nH]2)C1)c1ccc(OCC(F)(F)F)s1
• InChI: InChI=1S/C20H21F3N4O2S/c1-12(16-6-7-17(30-16)29-11-20(21,22)23)24-18(28)13-8-9-27(10-13)19-25-14-4-2-3-5-15(14)26-19/h2-7,12-13H,8-11H2,1H3,(H,24,28)(H,25,26)/t12-,13?/m1/s1
• InChIKey: DVVLDMCZKSKZBH-PZORYLMUSA-N
• XLogP: 4.27
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide (CID 135377823) is 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide is C[C@@H](NC(=O)C1CCN(c2nc3ccccc3[nH]2)C1)c1ccc(OCC(F)(F)F)s1.

What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide?

The InChIKey is DVVLDMCZKSKZBH-PZORYLMUSA-N. The full InChI is InChI=1S/C20H21F3N4O2S/c1-12(16-6-7-17(30-16)29-11-20(21,22)23)24-18(28)13-8-9-27(10-13)19-25-14-4-2-3-5-15(14)26-19/h2-7,12-13H,8-11H2,1H3,(H,24,28)(H,25,26)/t12-,13?/m1/s1.

What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide?

1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 135377823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).