2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole

C22H16F4N2 — CID 70100769

IUPAC2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole
SMILESCc1c(Cc2c(F)cccc2F)ccc2[nH]c(Cc3c(F)cccc3F)nc12
InChIInChI=1S/C22H16F4N2/c1-12-13(10-14-16(23)4-2-5-17(14)24)8-9-20-22(12)28-21(27-20)11-15-18(25)6-3-7-19(15)26/h2-9H,10-11H2,1H3,(H,27,28)
InChIKeyIONJRISKXVEJLQ-UHFFFAOYSA-N
MW384.38 g/mol
LogP5.61
Rot. Bonds4

About 2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole

2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole (PubChem CID 70100769) has the molecular formula C22H16F4N2 and a molecular weight of 384.38 g/mol. Its IUPAC name is 2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole
PubChem CID70100769
Molecular FormulaC22H16F4N2
Molecular Weight384.38 g/mol
Exact Mass384.12
IUPAC Name2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole
SMILESCc1c(Cc2c(F)cccc2F)ccc2[nH]c(Cc3c(F)cccc3F)nc12
InChIInChI=1S/C22H16F4N2/c1-12-13(10-14-16(23)4-2-5-17(14)24)8-9-20-22(12)28-21(27-20)11-15-18(25)6-3-7-19(15)26/h2-9H,10-11H2,1H3,(H,27,28)
InChIKeyIONJRISKXVEJLQ-UHFFFAOYSA-N
XLogP5.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.38
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole (CID 70100769) is 2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole is Cc1c(Cc2c(F)cccc2F)ccc2[nH]c(Cc3c(F)cccc3F)nc12.
What is the InChIKey of 2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole?
The InChIKey is IONJRISKXVEJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N2/c1-12-13(10-14-16(23)4-2-5-17(14)24)8-9-20-22(12)28-21(27-20)11-15-18(25)6-3-7-19(15)26/h2-9H,10-11H2,1H3,(H,27,28).
What are the key properties of 2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole?
2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole has a molecular weight of 384.38 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 70100769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).