methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate

C24H20F2N2O3 — CID 45269363

IUPACmethyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1c(F)cccc1F)n2CCc1ccc(OC)cc1
InChIInChI=1S/C24H20F2N2O3/c1-30-17-9-6-15(7-10-17)12-13-28-21-11-8-16(24(29)31-2)14-20(21)27-23(28)22-18(25)4-3-5-19(22)26/h3-11,14H,12-13H2,1-2H3
InChIKeyDMDXPEIBRYAGHE-UHFFFAOYSA-N
MW422.43 g/mol
LogP5.02
Rot. Bonds6

About methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate

methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate (PubChem CID 45269363) has the molecular formula C24H20F2N2O3 and a molecular weight of 422.43 g/mol. Its IUPAC name is methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate
PubChem CID45269363
Molecular FormulaC24H20F2N2O3
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Namemethyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1c(F)cccc1F)n2CCc1ccc(OC)cc1
InChIInChI=1S/C24H20F2N2O3/c1-30-17-9-6-15(7-10-17)12-13-28-21-11-8-16(24(29)31-2)14-20(21)27-23(28)22-18(25)4-3-5-19(22)26/h3-11,14H,12-13H2,1-2H3
InChIKeyDMDXPEIBRYAGHE-UHFFFAOYSA-N
XLogP5.02
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate (CID 45269363) is methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(-c1c(F)cccc1F)n2CCc1ccc(OC)cc1.
What is the InChIKey of methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate?
The InChIKey is DMDXPEIBRYAGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3/c1-30-17-9-6-15(7-10-17)12-13-28-21-11-8-16(24(29)31-2)14-20(21)27-23(28)22-18(25)4-3-5-19(22)26/h3-11,14H,12-13H2,1-2H3.
What are the key properties of methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate?
methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate has a molecular weight of 422.43 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 45269363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).