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

C11H10FN5O — CID 106406056

IUPAC4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3c(F)cccc32)no1
InChIInChI=1S/C11H10FN5O/c1-6-14-9(16-18-6)5-17-8-4-2-3-7(12)10(8)15-11(17)13/h2-4H,5H2,1H3,(H2,13,15)
InChIKeyFGBHAXRCEOJFAT-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.50
Rot. Bonds2

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

4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine (PubChem CID 106406056) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
PubChem CID106406056
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3c(F)cccc32)no1
InChIInChI=1S/C11H10FN5O/c1-6-14-9(16-18-6)5-17-8-4-2-3-7(12)10(8)15-11(17)13/h2-4H,5H2,1H3,(H2,13,15)
InChIKeyFGBHAXRCEOJFAT-UHFFFAOYSA-N
XLogP1.50
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.50
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
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine
CID 106406007
4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 54920355
4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 55171384
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008397
7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406055
4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 60788968
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953
1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
CID 61380518
4-fluoro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816932
1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine
CID 54932950

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine (CID 106406056) is 4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine is Cc1nc(Cn2c(N)nc3c(F)cccc32)no1.
What is the InChIKey of 4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is FGBHAXRCEOJFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c1-6-14-9(16-18-6)5-17-8-4-2-3-7(12)10(8)15-11(17)13/h2-4H,5H2,1H3,(H2,13,15).
What are the key properties of 4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 247.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 106406056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).