4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine

C11H9F2N5O — CID 115508797

IUPAC4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
SMILESCc1noc(Cn2c(N)nc3c(F)cc(F)cc32)n1
InChIInChI=1S/C11H9F2N5O/c1-5-15-9(19-17-5)4-18-8-3-6(12)2-7(13)10(8)16-11(18)14/h2-3H,4H2,1H3,(H2,14,16)
InChIKeyGUFSNKBXLOBVGZ-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.64
Rot. Bonds2

About 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine

4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine (PubChem CID 115508797) has the molecular formula C11H9F2N5O and a molecular weight of 265.22 g/mol. Its IUPAC name is 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
PubChem CID115508797
Molecular FormulaC11H9F2N5O
Molecular Weight265.22 g/mol
Exact Mass265.08
IUPAC Name4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
SMILESCc1noc(Cn2c(N)nc3c(F)cc(F)cc32)n1
InChIInChI=1S/C11H9F2N5O/c1-5-15-9(19-17-5)4-18-8-3-6(12)2-7(13)10(8)16-11(18)14/h2-3H,4H2,1H3,(H2,14,16)
InChIKeyGUFSNKBXLOBVGZ-UHFFFAOYSA-N
XLogP1.64
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-difluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406005
4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine
CID 115508867
4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 115508892
6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106419732
4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115508787
1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
CID 114400808
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
5-fluoro-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106419721
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567821
4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
CID 61360268
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 115508683

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine (CID 115508797) is 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine is Cc1noc(Cn2c(N)nc3c(F)cc(F)cc32)n1.
What is the InChIKey of 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine?
The InChIKey is GUFSNKBXLOBVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N5O/c1-5-15-9(19-17-5)4-18-8-3-6(12)2-7(13)10(8)16-11(18)14/h2-3H,4H2,1H3,(H2,14,16).
What are the key properties of 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine?
4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine has a molecular weight of 265.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 115508797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).