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

C9H7N5O — CID 738531

IUPAC4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C9H7N5O/c10-8-7(13-15-14-8)9-11-5-3-1-2-4-6(5)12-9/h1-4H,(H2,10,14)(H,11,12)
InChIKeyQEPDSNAEMKSMGN-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.20
Rot. Bonds1

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

4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 738531) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID738531
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C9H7N5O/c10-8-7(13-15-14-8)9-11-5-3-1-2-4-6(5)12-9/h1-4H,(H2,10,14)(H,11,12)
InChIKeyQEPDSNAEMKSMGN-UHFFFAOYSA-N
XLogP1.20
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 738531) is 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is QEPDSNAEMKSMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-8-7(13-15-14-8)9-11-5-3-1-2-4-6(5)12-9/h1-4H,(H2,10,14)(H,11,12).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 201.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 738531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).