1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine

C13H15N5O2 — CID 106406074

IUPAC1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine
SMILESCC(C)Oc1cccc2c1nc(N)n2Cc1ncon1
InChIInChI=1S/C13H15N5O2/c1-8(2)20-10-5-3-4-9-12(10)16-13(14)18(9)6-11-15-7-19-17-11/h3-5,7-8H,6H2,1-2H3,(H2,14,16)
InChIKeyYRQZATNPASNUCA-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.84
Rot. Bonds4

About 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine

1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine (PubChem CID 106406074) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine
PubChem CID106406074
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine
SMILESCC(C)Oc1cccc2c1nc(N)n2Cc1ncon1
InChIInChI=1S/C13H15N5O2/c1-8(2)20-10-5-3-4-9-12(10)16-13(14)18(9)6-11-15-7-19-17-11/h3-5,7-8H,6H2,1-2H3,(H2,14,16)
InChIKeyYRQZATNPASNUCA-UHFFFAOYSA-N
XLogP1.84
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine
CID 106406007
1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 113393510
2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240102
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine
CID 104829021
1-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 106407541
5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine
CID 106406137
7-ethoxy-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione
CID 106405502
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine
CID 106374976
4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406056
2-(1,2,4-oxadiazol-3-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106396039
3-[[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407030

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine (CID 106406074) is 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine is CC(C)Oc1cccc2c1nc(N)n2Cc1ncon1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine?
The InChIKey is YRQZATNPASNUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(2)20-10-5-3-4-9-12(10)16-13(14)18(9)6-11-15-7-19-17-11/h3-5,7-8H,6H2,1-2H3,(H2,14,16).
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine?
1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine has a molecular weight of 273.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine is sourced from PubChem (CID 106406074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).