4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C11H11N5O — CID 135486035

IUPAC4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1cc2nc(-c3nonc3N)[nH]c2cc1C
InChIInChI=1S/C11H11N5O/c1-5-3-7-8(4-6(5)2)14-11(13-7)9-10(12)16-17-15-9/h3-4H,1-2H3,(H2,12,16)(H,13,14)
InChIKeyFQBAWUOAXAHKGD-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.81
Rot. Bonds1

About 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 135486035) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID135486035
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1cc2nc(-c3nonc3N)[nH]c2cc1C
InChIInChI=1S/C11H11N5O/c1-5-3-7-8(4-6(5)2)14-11(13-7)9-10(12)16-17-15-9/h3-4H,1-2H3,(H2,12,16)(H,13,14)
InChIKeyFQBAWUOAXAHKGD-UHFFFAOYSA-N
XLogP1.81
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 135486035) is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is Cc1cc2nc(-c3nonc3N)[nH]c2cc1C.
What is the InChIKey of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is FQBAWUOAXAHKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-5-3-7-8(4-6(5)2)14-11(13-7)9-10(12)16-17-15-9/h3-4H,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 229.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 135486035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).