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2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole

C18H17BrF2N2O — CID 175973182

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole
SMILESCOCCn1c(Cc2c(F)cc(Br)cc2F)nc2cccc(C)c21
InChIInChI=1S/C18H17BrF2N2O/c1-11-4-3-5-16-18(11)23(6-7-24-2)17(22-16)10-13-14(20)8-12(19)9-15(13)21/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyLOYRZUVVOGOLIK-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.62
Rot. Bonds5

About 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole

2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole (PubChem CID 175973182) has the molecular formula C18H17BrF2N2O and a molecular weight of 395.25 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole
PubChem CID175973182
Molecular FormulaC18H17BrF2N2O
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole
SMILESCOCCn1c(Cc2c(F)cc(Br)cc2F)nc2cccc(C)c21
InChIInChI=1S/C18H17BrF2N2O/c1-11-4-3-5-16-18(11)23(6-7-24-2)17(22-16)10-13-14(20)8-12(19)9-15(13)21/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyLOYRZUVVOGOLIK-UHFFFAOYSA-N
XLogP4.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole?
The IUPAC name of 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole (CID 175973182) is 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole.
What is the SMILES notation for 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole?
The canonical SMILES for 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole is COCCn1c(Cc2c(F)cc(Br)cc2F)nc2cccc(C)c21.
What is the InChIKey of 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole?
The InChIKey is LOYRZUVVOGOLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O/c1-11-4-3-5-16-18(11)23(6-7-24-2)17(22-16)10-13-14(20)8-12(19)9-15(13)21/h3-5,8-9H,6-7,10H2,1-2H3.
What are the key properties of 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole?
2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole has a molecular weight of 395.25 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole is sourced from PubChem (CID 175973182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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