2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C24H17Cl2F4N5O2 — CID 56968267

About 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56968267) has the molecular formula C24H17Cl2F4N5O2 and a molecular weight of 554.33 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
• PubChem CID: 56968267
• Molecular Formula: C24H17Cl2F4N5O2
• Molecular Weight: 554.33 g/mol
• Exact Mass: 553.07
• IUPAC Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
• SMILES: CC1(C)Cc2c(c(C(=O)Nc3ccc(C(F)(F)F)cc3F)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1
• InChI: InChI=1S/C24H17Cl2F4N5O2/c1-23(2)7-12-18-17(33-22(34-18)35-19-13(25)8-31-9-14(19)26)6-11(20(12)37-23)21(36)32-16-4-3-10(5-15(16)27)24(28,29)30/h3-6,8-9H,7H2,1-2H3,(H,32,36)(H2,31,33,34,35)
• InChIKey: FRWNZJJKXSGFNJ-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 91.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.33
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56968267) is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)Nc3ccc(C(F)(F)F)cc3F)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1.

What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

The InChIKey is FRWNZJJKXSGFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F4N5O2/c1-23(2)7-12-18-17(33-22(34-18)35-19-13(25)8-31-9-14(19)26)6-11(20(12)37-23)21(36)32-16-4-3-10(5-15(16)27)24(28,29)30/h3-6,8-9H,7H2,1-2H3,(H,32,36)(H2,31,33,34,35).

What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?

2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 554.33 g/mol, XLogP of 7.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56968267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).