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

C10H9N5O — CID 753058

IUPAC4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCn1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C10H9N5O/c1-15-7-5-3-2-4-6(7)12-10(15)8-9(11)14-16-13-8/h2-5H,1H3,(H2,11,14)
InChIKeyZIHIDNWPEZFEMR-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.21
Rot. Bonds1

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

4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 753058) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID753058
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCn1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C10H9N5O/c1-15-7-5-3-2-4-6(7)12-10(15)8-9(11)14-16-13-8/h2-5H,1H3,(H2,11,14)
InChIKeyZIHIDNWPEZFEMR-UHFFFAOYSA-N
XLogP1.21
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 753058) is 4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is Cn1c(-c2nonc2N)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is ZIHIDNWPEZFEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-15-7-5-3-2-4-6(7)12-10(15)8-9(11)14-16-13-8/h2-5H,1H3,(H2,11,14).
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 215.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 753058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).