2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C26H21ClF4N4O2 — CID 56970445

About 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56970445) has the molecular formula C26H21ClF4N4O2 and a molecular weight of 532.93 g/mol. Its IUPAC name is 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
• PubChem CID: 56970445
• Molecular Formula: C26H21ClF4N4O2
• Molecular Weight: 532.93 g/mol
• Exact Mass: 532.13
• IUPAC Name: 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
• SMILES: Cc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4cc(C(F)(F)F)ccc4F)cc2[nH]1)OC(C)(C)C3
• InChI: InChI=1S/C26H21ClF4N4O2/c1-12-5-4-6-16(27)20(12)34-24-33-19-10-14(22-15(21(19)35-24)11-25(2,3)37-22)23(36)32-18-9-13(26(29,30)31)7-8-17(18)28/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35)
• InChIKey: NEDYVEZMEJJRFC-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 79.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.93
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

The IUPAC name of 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56970445) is 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

What is the SMILES notation for 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

The canonical SMILES for 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is Cc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4cc(C(F)(F)F)ccc4F)cc2[nH]1)OC(C)(C)C3.

What is the InChIKey of 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

The InChIKey is NEDYVEZMEJJRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF4N4O2/c1-12-5-4-6-16(27)20(12)34-24-33-19-10-14(22-15(21(19)35-24)11-25(2,3)37-22)23(36)32-18-9-13(26(29,30)31)7-8-17(18)28/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35).

What are the key properties of 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 532.93 g/mol, XLogP of 7.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-methylanilino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56970445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).