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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Related Compounds

1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole
CID 468848
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-ethylbenzimidazole
CID 492674
1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazole
CID 940002
1-[(2-Methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
CID 830207
2-(2-Methylbenzimidazol-1-yl)-1-phenylethanol
CID 5200852
1H-Benzimidazole, 2-(2,6-difluorophenyl)-4-methyl-1-(phenylmethyl)-
CID 468856
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-hydroxymethylbenzimidazole
CID 492681
2-butyl-7-(methoxymethyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 19792191
1-[4-Hydroxymethyl-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-3-isopropyl-1,3-dihydro-benzoimidazol-2-one
CID 20813981
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-acetoxymethylbenzimidazole
CID 22482478
N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]-N-methyl-acetamide
CID 22482489
1-[[1-(4-Fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one
CID 23516989

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).