6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole

C16H12BrF3N2O — CID 118108433

IUPAC6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole
SMILESCc1nc2cc(F)c(Br)cc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/C16H12BrF3N2O/c1-9-21-13-7-12(18)11(17)6-14(13)22(9)8-10-4-2-3-5-15(10)23-16(19)20/h2-7,16H,8H2,1H3
InChIKeyFZVMMDLVILFSFO-UHFFFAOYSA-N
MW385.18 g/mol
LogP4.90
Rot. Bonds4

About 6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole

6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole (PubChem CID 118108433) has the molecular formula C16H12BrF3N2O and a molecular weight of 385.18 g/mol. Its IUPAC name is 6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole.

Molecular Properties

Compound Name6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole
PubChem CID118108433
Molecular FormulaC16H12BrF3N2O
Molecular Weight385.18 g/mol
Exact Mass384.01
IUPAC Name6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole
SMILESCc1nc2cc(F)c(Br)cc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/C16H12BrF3N2O/c1-9-21-13-7-12(18)11(17)6-14(13)22(9)8-10-4-2-3-5-15(10)23-16(19)20/h2-7,16H,8H2,1H3
InChIKeyFZVMMDLVILFSFO-UHFFFAOYSA-N
XLogP4.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole?
The IUPAC name of 6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole (CID 118108433) is 6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole.
What is the SMILES notation for 6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole?
The canonical SMILES for 6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole is Cc1nc2cc(F)c(Br)cc2n1Cc1ccccc1OC(F)F.
What is the InChIKey of 6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole?
The InChIKey is FZVMMDLVILFSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O/c1-9-21-13-7-12(18)11(17)6-14(13)22(9)8-10-4-2-3-5-15(10)23-16(19)20/h2-7,16H,8H2,1H3.
What are the key properties of 6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole?
6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole has a molecular weight of 385.18 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole is sourced from PubChem (CID 118108433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).