5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine

C12H13N5O2 — CID 106406245

IUPAC5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc(N)n2CCc1ncon1
InChIInChI=1S/C12H13N5O2/c1-18-8-2-3-10-9(6-8)15-12(13)17(10)5-4-11-14-7-19-16-11/h2-3,6-7H,4-5H2,1H3,(H2,13,15)
InChIKeyQFODXURZUJVEKT-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.25
Rot. Bonds4

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

5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 106406245) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID106406245
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc(N)n2CCc1ncon1
InChIInChI=1S/C12H13N5O2/c1-18-8-2-3-10-9(6-8)15-12(13)17(10)5-4-11-14-7-19-16-11/h2-3,6-7H,4-5H2,1H3,(H2,13,15)
InChIKeyQFODXURZUJVEKT-UHFFFAOYSA-N
XLogP1.25
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406239
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406282
2-cyclopropyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-5-amine
CID 106408059
5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326321
2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea
CID 83114952
1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
CID 106008088
3-[[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407036
6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106406257
7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 114184884
5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine
CID 106406137
1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine
CID 115990874

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (CID 106406245) is 5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is COc1ccc2c(c1)nc(N)n2CCc1ncon1.
What is the InChIKey of 5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is QFODXURZUJVEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-18-8-2-3-10-9(6-8)15-12(13)17(10)5-4-11-14-7-19-16-11/h2-3,6-7H,4-5H2,1H3,(H2,13,15).
What are the key properties of 5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 259.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106406245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).