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

C14H9F3N2O — CID 60981364

IUPAC2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccccc3OC(F)F)[nH]c2c1
InChIInChI=1S/C14H9F3N2O/c15-8-5-6-10-11(7-8)19-13(18-10)9-3-1-2-4-12(9)20-14(16)17/h1-7,14H,(H,18,19)
InChIKeyWPFBCMORHNQZND-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.97
Rot. Bonds3

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

2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole (PubChem CID 60981364) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole
PubChem CID60981364
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccccc3OC(F)F)[nH]c2c1
InChIInChI=1S/C14H9F3N2O/c15-8-5-6-10-11(7-8)19-13(18-10)9-3-1-2-4-12(9)20-14(16)17/h1-7,14H,(H,18,19)
InChIKeyWPFBCMORHNQZND-UHFFFAOYSA-N
XLogP3.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one
CID 59208169
2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 60979329
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136980082
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile
CID 104720431
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 46986195
2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole
CID 168555283

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole (CID 60981364) is 2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole is Fc1ccc2nc(-c3ccccc3OC(F)F)[nH]c2c1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole?
The InChIKey is WPFBCMORHNQZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-8-5-6-10-11(7-8)19-13(18-10)9-3-1-2-4-12(9)20-14(16)17/h1-7,14H,(H,18,19).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole?
2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole has a molecular weight of 278.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 60981364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).