2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole

C16H12N4O2 — CID 58433268

IUPAC2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C16H12N4O2/c1-2-4-12(5-3-1)21-9-15-19-20-16(22-15)11-6-7-13-14(8-11)18-10-17-13/h1-8,10H,9H2,(H,17,18)
InChIKeyLTNDWHDFNBSQHT-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.19
Rot. Bonds4

About 2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole

2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole (PubChem CID 58433268) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole
PubChem CID58433268
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C16H12N4O2/c1-2-4-12(5-3-1)21-9-15-19-20-16(22-15)11-6-7-13-14(8-11)18-10-17-13/h1-8,10H,9H2,(H,17,18)
InChIKeyLTNDWHDFNBSQHT-UHFFFAOYSA-N
XLogP3.19
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole (CID 58433268) is 2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole is c1ccc(OCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The InChIKey is LTNDWHDFNBSQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-2-4-12(5-3-1)21-9-15-19-20-16(22-15)11-6-7-13-14(8-11)18-10-17-13/h1-8,10H,9H2,(H,17,18).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole has a molecular weight of 292.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 58433268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).