1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole

C21H16F2N2O — CID 134083781

IUPAC1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
SMILESCOc1ccc2nc(-c3c(F)cccc3F)n(Cc3ccccc3)c2c1
InChIInChI=1S/C21H16F2N2O/c1-26-15-10-11-18-19(12-15)25(13-14-6-3-2-4-7-14)21(24-18)20-16(22)8-5-9-17(20)23/h2-12H,13H2,1H3
InChIKeyNIVIGURUSQEEOU-UHFFFAOYSA-N
MW350.37 g/mol
LogP5.04
Rot. Bonds4

About 1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole

1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole (PubChem CID 134083781) has the molecular formula C21H16F2N2O and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
PubChem CID134083781
Molecular FormulaC21H16F2N2O
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
SMILESCOc1ccc2nc(-c3c(F)cccc3F)n(Cc3ccccc3)c2c1
InChIInChI=1S/C21H16F2N2O/c1-26-15-10-11-18-19(12-15)25(13-14-6-3-2-4-7-14)21(24-18)20-16(22)8-5-9-17(20)23/h2-12H,13H2,1H3
InChIKeyNIVIGURUSQEEOU-UHFFFAOYSA-N
XLogP5.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole
CID 11724181
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
CID 57327928
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole?
The IUPAC name of 1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole (CID 134083781) is 1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole.
What is the SMILES notation for 1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole?
The canonical SMILES for 1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole is COc1ccc2nc(-c3c(F)cccc3F)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole?
The InChIKey is NIVIGURUSQEEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O/c1-26-15-10-11-18-19(12-15)25(13-14-6-3-2-4-7-14)21(24-18)20-16(22)8-5-9-17(20)23/h2-12H,13H2,1H3.
What are the key properties of 1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole?
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole has a molecular weight of 350.37 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole is sourced from PubChem (CID 134083781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).