5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine

C11H10FN5O2 — CID 106406137

IUPAC5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2Cc1ncon1
InChIInChI=1S/C11H10FN5O2/c1-18-9-3-8-7(2-6(9)12)15-11(13)17(8)4-10-14-5-19-16-10/h2-3,5H,4H2,1H3,(H2,13,15)
InChIKeyYUWPYCMEAJKIHW-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.20
Rot. Bonds3

About 5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine

5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine (PubChem CID 106406137) has the molecular formula C11H10FN5O2 and a molecular weight of 263.23 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine
PubChem CID106406137
Molecular FormulaC11H10FN5O2
Molecular Weight263.23 g/mol
Exact Mass263.08
IUPAC Name5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2Cc1ncon1
InChIInChI=1S/C11H10FN5O2/c1-18-9-3-8-7(2-6(9)12)15-11(13)17(8)4-10-14-5-19-16-10/h2-3,5H,4H2,1H3,(H2,13,15)
InChIKeyYUWPYCMEAJKIHW-UHFFFAOYSA-N
XLogP1.20
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 63825511
5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406219
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63597555
5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine
CID 63599810
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406282
2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240092
5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406245
5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 63597894
2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)-N-tert-butylacetamide
CID 115356971
3-[[2-(2-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407005
5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 103593049
6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 116738009

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine (CID 106406137) is 5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2Cc1ncon1.
What is the InChIKey of 5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is YUWPYCMEAJKIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O2/c1-18-9-3-8-7(2-6(9)12)15-11(13)17(8)4-10-14-5-19-16-10/h2-3,5H,4H2,1H3,(H2,13,15).
What are the key properties of 5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine?
5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 263.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 106406137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).