6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine

C14H10F3N3 — CID 62531539

IUPAC6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(F)c(-n2c(N)nc3ccc(F)c(F)c32)c1
InChIInChI=1S/C14H10F3N3/c1-7-2-3-8(15)11(6-7)20-13-10(19-14(20)18)5-4-9(16)12(13)17/h2-6H,1H3,(H2,18,19)
InChIKeyHZSWQFYFKXTBRI-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.33
Rot. Bonds1

About 6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine

6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine (PubChem CID 62531539) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine
PubChem CID62531539
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(F)c(-n2c(N)nc3ccc(F)c(F)c32)c1
InChIInChI=1S/C14H10F3N3/c1-7-2-3-8(15)11(6-7)20-13-10(19-14(20)18)5-4-9(16)12(13)17/h2-6H,1H3,(H2,18,19)
InChIKeyHZSWQFYFKXTBRI-UHFFFAOYSA-N
XLogP3.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645393
1-(2-fluoro-5-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081783
1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552264
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine
CID 62532885
6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 62531537
1-(4-bromo-2,3-dichlorophenyl)-6,7-difluorobenzimidazol-2-amine
CID 107791596
1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 63546227
1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine
CID 82859399

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine (CID 62531539) is 6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine is Cc1ccc(F)c(-n2c(N)nc3ccc(F)c(F)c32)c1.
What is the InChIKey of 6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine?
The InChIKey is HZSWQFYFKXTBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c1-7-2-3-8(15)11(6-7)20-13-10(19-14(20)18)5-4-9(16)12(13)17/h2-6H,1H3,(H2,18,19).
What are the key properties of 6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine?
6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine has a molecular weight of 277.25 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 62531539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).