2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide

C19H17ClF3N3O2S — CID 130245846

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide

2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 130245846) has the molecular formula C19H17ClF3N3O2S and a molecular weight of 443.88 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 130245846
• Molecular Formula: C19H17ClF3N3O2S
• Molecular Weight: 443.88 g/mol
• Exact Mass: 443.07
• IUPAC Name: 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
• SMILES: CC(NC(=O)C1CC1c1nc2ccc(Cl)cc2[nH]1)c1ccc(OCC(F)(F)F)s1
• InChI: InChI=1S/C19H17ClF3N3O2S/c1-9(15-4-5-16(29-15)28-8-19(21,22)23)24-18(27)12-7-11(12)17-25-13-3-2-10(20)6-14(13)26-17/h2-6,9,11-12H,7-8H2,1H3,(H,24,27)(H,25,26)
• InChIKey: GIIMHMBUZBMUOY-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.88
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide (CID 130245846) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1CC1c1nc2ccc(Cl)cc2[nH]1)c1ccc(OCC(F)(F)F)s1.

What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is GIIMHMBUZBMUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2S/c1-9(15-4-5-16(29-15)28-8-19(21,22)23)24-18(27)12-7-11(12)17-25-13-3-2-10(20)6-14(13)26-17/h2-6,9,11-12H,7-8H2,1H3,(H,24,27)(H,25,26).

What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 443.88 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 130245846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).