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

C10H9N5O2 — CID 135522271

IUPAC4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc2nc(-c3nonc3N)[nH]c2c1
InChIInChI=1S/C10H9N5O2/c1-16-5-2-3-6-7(4-5)13-10(12-6)8-9(11)15-17-14-8/h2-4H,1H3,(H2,11,15)(H,12,13)
InChIKeyGNLVSCJDSUIBIB-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.20
Rot. Bonds2

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

4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 135522271) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID135522271
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc2nc(-c3nonc3N)[nH]c2c1
InChIInChI=1S/C10H9N5O2/c1-16-5-2-3-6-7(4-5)13-10(12-6)8-9(11)15-17-14-8/h2-4H,1H3,(H2,11,15)(H,12,13)
InChIKeyGNLVSCJDSUIBIB-UHFFFAOYSA-N
XLogP1.20
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 135522271) is 4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is COc1ccc2nc(-c3nonc3N)[nH]c2c1.
What is the InChIKey of 4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is GNLVSCJDSUIBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c1-16-5-2-3-6-7(4-5)13-10(12-6)8-9(11)15-17-14-8/h2-4H,1H3,(H2,11,15)(H,12,13).
What are the key properties of 4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 231.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 135522271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).