2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid

C17H11ClFN3O3 — CID 67503485

IUPAC2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid
SMILESCc1cc2c(o1)c(C(=O)O)cc1[nH]c(Nc3c(F)cccc3Cl)nc12
InChIInChI=1S/C17H11ClFN3O3/c1-7-5-8-13-12(6-9(16(23)24)15(8)25-7)20-17(21-13)22-14-10(18)3-2-4-11(14)19/h2-6H,1H3,(H,23,24)(H2,20,21,22)
InChIKeyLLZYRYKVHYWUHG-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.85
Rot. Bonds3

About 2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid

2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid (PubChem CID 67503485) has the molecular formula C17H11ClFN3O3 and a molecular weight of 359.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid
PubChem CID67503485
Molecular FormulaC17H11ClFN3O3
Molecular Weight359.74 g/mol
Exact Mass359.05
IUPAC Name2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid
SMILESCc1cc2c(o1)c(C(=O)O)cc1[nH]c(Nc3c(F)cccc3Cl)nc12
InChIInChI=1S/C17H11ClFN3O3/c1-7-5-8-13-12(6-9(16(23)24)15(8)25-7)20-17(21-13)22-14-10(18)3-2-4-11(14)19/h2-6H,1H3,(H,23,24)(H2,20,21,22)
InChIKeyLLZYRYKVHYWUHG-UHFFFAOYSA-N
XLogP4.85
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid (CID 67503485) is 2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid is Cc1cc2c(o1)c(C(=O)O)cc1[nH]c(Nc3c(F)cccc3Cl)nc12.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid?
The InChIKey is LLZYRYKVHYWUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O3/c1-7-5-8-13-12(6-9(16(23)24)15(8)25-7)20-17(21-13)22-14-10(18)3-2-4-11(14)19/h2-6H,1H3,(H,23,24)(H2,20,21,22).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid?
2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid has a molecular weight of 359.74 g/mol, XLogP of 4.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 67503485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).