[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol

C12H13N5O2 — CID 10214652

IUPAC[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol
SMILESCCn1c(-c2nonc2N)nc2cc(CO)ccc21
InChIInChI=1S/C12H13N5O2/c1-2-17-9-4-3-7(6-18)5-8(9)14-12(17)10-11(13)16-19-15-10/h3-5,18H,2,6H2,1H3,(H2,13,16)
InChIKeyYDKHBUQEWJCPCG-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.18
Rot. Bonds3

About [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol

[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol (PubChem CID 10214652) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol
PubChem CID10214652
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol
SMILESCCn1c(-c2nonc2N)nc2cc(CO)ccc21
InChIInChI=1S/C12H13N5O2/c1-2-17-9-4-3-7(6-18)5-8(9)14-12(17)10-11(13)16-19-15-10/h3-5,18H,2,6H2,1H3,(H2,13,16)
InChIKeyYDKHBUQEWJCPCG-UHFFFAOYSA-N
XLogP1.18
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol?
The IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol (CID 10214652) is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol.
What is the SMILES notation for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol?
The canonical SMILES for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol is CCn1c(-c2nonc2N)nc2cc(CO)ccc21.
What is the InChIKey of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol?
The InChIKey is YDKHBUQEWJCPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-2-17-9-4-3-7(6-18)5-8(9)14-12(17)10-11(13)16-19-15-10/h3-5,18H,2,6H2,1H3,(H2,13,16).
What are the key properties of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol?
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol has a molecular weight of 259.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylbenzimidazol-5-yl]methanol is sourced from PubChem (CID 10214652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).