5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole

C14H9F3N2 — CID 60979569

IUPAC5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
SMILESFc1cc2nc(Cc3ccccc3F)[nH]c2cc1F
InChIInChI=1S/C14H9F3N2/c15-9-4-2-1-3-8(9)5-14-18-12-6-10(16)11(17)7-13(12)19-14/h1-4,6-7H,5H2,(H,18,19)
InChIKeyIQGVALRWMFEJSS-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.57
Rot. Bonds2

About 5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole

5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole (PubChem CID 60979569) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
PubChem CID60979569
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
SMILESFc1cc2nc(Cc3ccccc3F)[nH]c2cc1F
InChIInChI=1S/C14H9F3N2/c15-9-4-2-1-3-8(9)5-14-18-12-6-10(16)11(17)7-13(12)19-14/h1-4,6-7H,5H2,(H,18,19)
InChIKeyIQGVALRWMFEJSS-UHFFFAOYSA-N
XLogP3.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
CID 60978242
6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349059
2-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine
CID 63268921
5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
CID 60978368
5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
CID 55025178
N-[3-(5,6-difluoro-1H-benzimidazol-2-yl)propyl]aniline
CID 60835364
2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 60973900
6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole
CID 60978250
3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 120503219
N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide
CID 11349348
2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboximidamide
CID 10991007

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole (CID 60979569) is 5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole is Fc1cc2nc(Cc3ccccc3F)[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole?
The InChIKey is IQGVALRWMFEJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-9-4-2-1-3-8(9)5-14-18-12-6-10(16)11(17)7-13(12)19-14/h1-4,6-7H,5H2,(H,18,19).
What are the key properties of 5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole?
5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole has a molecular weight of 262.23 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 60979569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).