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

C17H14N4O — CID 58433214

IUPAC2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole
SMILESc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C17H14N4O/c1-2-4-12(5-3-1)6-9-16-20-21-17(22-16)13-7-8-14-15(10-13)19-11-18-14/h1-5,7-8,10-11H,6,9H2,(H,18,19)
InChIKeyRWUTUVLHSOYRBG-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.40
Rot. Bonds4

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

2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole (PubChem CID 58433214) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole
PubChem CID58433214
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole
SMILESc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C17H14N4O/c1-2-4-12(5-3-1)6-9-16-20-21-17(22-16)13-7-8-14-15(10-13)19-11-18-14/h1-5,7-8,10-11H,6,9H2,(H,18,19)
InChIKeyRWUTUVLHSOYRBG-UHFFFAOYSA-N
XLogP3.40
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole (CID 58433214) is 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole is c1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole?
The InChIKey is RWUTUVLHSOYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-4-12(5-3-1)6-9-16-20-21-17(22-16)13-7-8-14-15(10-13)19-11-18-14/h1-5,7-8,10-11H,6,9H2,(H,18,19).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole has a molecular weight of 290.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 58433214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).