2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C20H17Cl2F3N4O2 — CID 56969601

IUPAC2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)NCC(F)(F)F)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
InChIInChI=1S/C20H17Cl2F3N4O2/c1-19(2)7-10-14-13(6-9(16(10)31-19)17(30)26-8-20(23,24)25)27-18(28-14)29-15-11(21)4-3-5-12(15)22/h3-6H,7-8H2,1-2H3,(H,26,30)(H2,27,28,29)
InChIKeyYRHPYZLJFJBTGA-UHFFFAOYSA-N
MW473.28 g/mol
LogP5.62
Rot. Bonds4

About 2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56969601) has the molecular formula C20H17Cl2F3N4O2 and a molecular weight of 473.28 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56969601
Molecular FormulaC20H17Cl2F3N4O2
Molecular Weight473.28 g/mol
Exact Mass472.07
IUPAC Name2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)NCC(F)(F)F)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1
InChIInChI=1S/C20H17Cl2F3N4O2/c1-19(2)7-10-14-13(6-9(16(10)31-19)17(30)26-8-20(23,24)25)27-18(28-14)29-15-11(21)4-3-5-12(15)22/h3-6H,7-8H2,1-2H3,(H,26,30)(H2,27,28,29)
InChIKeyYRHPYZLJFJBTGA-UHFFFAOYSA-N
XLogP5.62
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.28
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56969601) is 2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)NCC(F)(F)F)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1.
What is the InChIKey of 2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is YRHPYZLJFJBTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N4O2/c1-19(2)7-10-14-13(6-9(16(10)31-19)17(30)26-8-20(23,24)25)27-18(28-14)29-15-11(21)4-3-5-12(15)22/h3-6H,7-8H2,1-2H3,(H,26,30)(H2,27,28,29).
What are the key properties of 2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 473.28 g/mol, XLogP of 5.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56969601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).