4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole

C13H8N4O — CID 56866131

IUPAC4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
SMILESc1ccc2[nH]c(-c3cccc4nonc34)nc2c1
InChIInChI=1S/C13H8N4O/c1-2-6-10-9(5-1)14-13(15-10)8-4-3-7-11-12(8)17-18-16-11/h1-7H,(H,14,15)
InChIKeyGYHPJKYPWHFAMC-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.77
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole

4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole (PubChem CID 56866131) has the molecular formula C13H8N4O and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
PubChem CID56866131
Molecular FormulaC13H8N4O
Molecular Weight236.23 g/mol
Exact Mass236.07
IUPAC Name4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
SMILESc1ccc2[nH]c(-c3cccc4nonc34)nc2c1
InChIInChI=1S/C13H8N4O/c1-2-6-10-9(5-1)14-13(15-10)8-4-3-7-11-12(8)17-18-16-11/h1-7H,(H,14,15)
InChIKeyGYHPJKYPWHFAMC-UHFFFAOYSA-N
XLogP2.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole (CID 56866131) is 4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole is c1ccc2[nH]c(-c3cccc4nonc34)nc2c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole?
The InChIKey is GYHPJKYPWHFAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O/c1-2-6-10-9(5-1)14-13(15-10)8-4-3-7-11-12(8)17-18-16-11/h1-7H,(H,14,15).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole?
4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole has a molecular weight of 236.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole is sourced from PubChem (CID 56866131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).