4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C12H13N5O2 — CID 10308125

IUPAC4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2cc(OC)ccc21
InChIInChI=1S/C12H13N5O2/c1-3-17-9-5-4-7(18-2)6-8(9)14-12(17)10-11(13)16-19-15-10/h4-6H,3H2,1-2H3,(H2,13,16)
InChIKeyKAEIAXBIPNJXCJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.70
Rot. Bonds3

About 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 10308125) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID10308125
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2cc(OC)ccc21
InChIInChI=1S/C12H13N5O2/c1-3-17-9-5-4-7(18-2)6-8(9)14-12(17)10-11(13)16-19-15-10/h4-6H,3H2,1-2H3,(H2,13,16)
InChIKeyKAEIAXBIPNJXCJ-UHFFFAOYSA-N
XLogP1.70
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 10308125) is 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2cc(OC)ccc21.
What is the InChIKey of 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is KAEIAXBIPNJXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-3-17-9-5-4-7(18-2)6-8(9)14-12(17)10-11(13)16-19-15-10/h4-6H,3H2,1-2H3,(H2,13,16).
What are the key properties of 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 259.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 10308125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).