2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole

C22H16F4N2O — CID 22482459

IUPAC2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole
SMILESCOCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
InChIInChI=1S/C22H16F4N2O/c1-29-12-13-5-2-10-19-21(13)27-22(20-17(25)8-4-9-18(20)26)28(19)11-14-15(23)6-3-7-16(14)24/h2-10H,11-12H2,1H3
InChIKeyTWJFQLDHQKQCBP-UHFFFAOYSA-N
MW400.38 g/mol
LogP5.45
Rot. Bonds5

About 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole

2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole (PubChem CID 22482459) has the molecular formula C22H16F4N2O and a molecular weight of 400.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole
PubChem CID22482459
Molecular FormulaC22H16F4N2O
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC Name2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole
SMILESCOCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
InChIInChI=1S/C22H16F4N2O/c1-29-12-13-5-2-10-19-21(13)27-22(20-17(25)8-4-9-18(20)26)28(19)11-14-15(23)6-3-7-16(14)24/h2-10H,11-12H2,1H3
InChIKeyTWJFQLDHQKQCBP-UHFFFAOYSA-N
XLogP5.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole (CID 22482459) is 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole is COCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole?
The InChIKey is TWJFQLDHQKQCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N2O/c1-29-12-13-5-2-10-19-21(13)27-22(20-17(25)8-4-9-18(20)26)28(19)11-14-15(23)6-3-7-16(14)24/h2-10H,11-12H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole?
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole has a molecular weight of 400.38 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole is sourced from PubChem (CID 22482459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).