2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide

C20H20F3N3O2S — CID 130245175

About 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide

2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 130245175) has the molecular formula C20H20F3N3O2S and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 130245175
• Molecular Formula: C20H20F3N3O2S
• Molecular Weight: 423.46 g/mol
• Exact Mass: 423.12
• IUPAC Name: 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
• SMILES: C[C@@H](NC(=O)C1CC1c1nc2ccccc2n1C)c1ccc(OCC(F)(F)F)s1
• InChI: InChI=1S/C20H20F3N3O2S/c1-11(16-7-8-17(29-16)28-10-20(21,22)23)24-19(27)13-9-12(13)18-25-14-5-3-4-6-15(14)26(18)2/h3-8,11-13H,9-10H2,1-2H3,(H,24,27)/t11-,12?,13?/m1/s1
• InChIKey: CGSKRHDJNUAWQK-PNESKVBLSA-N
• XLogP: 4.56
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.46
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide (CID 130245175) is 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1CC1c1nc2ccccc2n1C)c1ccc(OCC(F)(F)F)s1.

What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is CGSKRHDJNUAWQK-PNESKVBLSA-N. The full InChI is InChI=1S/C20H20F3N3O2S/c1-11(16-7-8-17(29-16)28-10-20(21,22)23)24-19(27)13-9-12(13)18-25-14-5-3-4-6-15(14)26(18)2/h3-8,11-13H,9-10H2,1-2H3,(H,24,27)/t11-,12?,13?/m1/s1.

What are the key properties of 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 130245175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).