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

C24H18ClF4N5O2 — CID 67503464

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

2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67503464) has the molecular formula C24H18ClF4N5O2 and a molecular weight of 519.89 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
• PubChem CID: 67503464
• Molecular Formula: C24H18ClF4N5O2
• Molecular Weight: 519.89 g/mol
• Exact Mass: 519.11
• IUPAC Name: 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
• SMILES: CC1(C)Cc2c(c(C(=O)Nc3ccc(C(F)(F)F)cn3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1
• InChI: InChI=1S/C24H18ClF4N5O2/c1-23(2)9-13-18-16(31-22(33-18)34-19-14(25)4-3-5-15(19)26)8-12(20(13)36-23)21(35)32-17-7-6-11(10-30-17)24(27,28)29/h3-8,10H,9H2,1-2H3,(H,30,32,35)(H2,31,33,34)
• InChIKey: CUDFJPZNFSRWTE-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 91.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.89
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 67503464) is 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

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

The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)Nc3ccc(C(F)(F)F)cn3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1.

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

The InChIKey is CUDFJPZNFSRWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF4N5O2/c1-23(2)9-13-18-16(31-22(33-18)34-19-14(25)4-3-5-15(19)26)8-12(20(13)36-23)21(35)32-17-7-6-11(10-30-17)24(27,28)29/h3-8,10H,9H2,1-2H3,(H,30,32,35)(H2,31,33,34).

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

2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 519.89 g/mol, XLogP of 6.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67503464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).