5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole

C14H10F2N2O — CID 55025178

IUPAC5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
SMILESFc1cc2nc(COc3ccccc3)[nH]c2cc1F
InChIInChI=1S/C14H10F2N2O/c15-10-6-12-13(7-11(10)16)18-14(17-12)8-19-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyQDYKJWFTWWNNAD-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.42
Rot. Bonds3

About 5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole

5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole (PubChem CID 55025178) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
PubChem CID55025178
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
SMILESFc1cc2nc(COc3ccccc3)[nH]c2cc1F
InChIInChI=1S/C14H10F2N2O/c15-10-6-12-13(7-11(10)16)18-14(17-12)8-19-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyQDYKJWFTWWNNAD-UHFFFAOYSA-N
XLogP3.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 60979188
3-[(5,6-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747407
2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 82144371
6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 39158501
5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
CID 60978368
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole
CID 82004585
5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60979569
2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
CID 60978242
N-[3-(5,6-difluoro-1H-benzimidazol-2-yl)propyl]aniline
CID 60835364
5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103977363
4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
CID 82947655

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole (CID 55025178) is 5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole is Fc1cc2nc(COc3ccccc3)[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole?
The InChIKey is QDYKJWFTWWNNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-10-6-12-13(7-11(10)16)18-14(17-12)8-19-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole?
5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole has a molecular weight of 260.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole is sourced from PubChem (CID 55025178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).