2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole

C14H9BrF2N2O — CID 168555283

IUPAC2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole
SMILESFC(F)Oc1cccc(Br)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C14H9BrF2N2O/c15-8-4-3-7-11(20-14(16)17)12(8)13-18-9-5-1-2-6-10(9)19-13/h1-7,14H,(H,18,19)
InChIKeyFGGHFMPDHZPEMT-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.59
Rot. Bonds3

About 2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole

2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole (PubChem CID 168555283) has the molecular formula C14H9BrF2N2O and a molecular weight of 339.14 g/mol. Its IUPAC name is 2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole
PubChem CID168555283
Molecular FormulaC14H9BrF2N2O
Molecular Weight339.14 g/mol
Exact Mass337.99
IUPAC Name2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole
SMILESFC(F)Oc1cccc(Br)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C14H9BrF2N2O/c15-8-4-3-7-11(20-14(16)17)12(8)13-18-9-5-1-2-6-10(9)19-13/h1-7,14H,(H,18,19)
InChIKeyFGGHFMPDHZPEMT-UHFFFAOYSA-N
XLogP4.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole
CID 60981364
2-(2-bromophenoxy)-1H-benzimidazole
CID 66728072
2-[(Z)-1-chloro-2-[2-(difluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
CID 6088566
1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene
CID 175713970
6-bromo-2-(2-bromo-6-fluorophenyl)-1H-benzimidazole
CID 114560115
2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 167941152
2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole
CID 168554553
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811
2-bromo-7-(difluoromethoxy)-1,3-benzoxazole
CID 118996479
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile
CID 104720431
2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168552872

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole (CID 168555283) is 2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole is FC(F)Oc1cccc(Br)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole?
The InChIKey is FGGHFMPDHZPEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O/c15-8-4-3-7-11(20-14(16)17)12(8)13-18-9-5-1-2-6-10(9)19-13/h1-7,14H,(H,18,19).
What are the key properties of 2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole?
2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole has a molecular weight of 339.14 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).