3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole

C16H12N4O — CID 18576919

IUPAC3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(Cc3nc4ccccc4[nH]3)no2)cc1
InChIInChI=1S/C16H12N4O/c1-2-6-11(7-3-1)16-19-15(20-21-16)10-14-17-12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H,17,18)
InChIKeyHXDGCPFASDACPL-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.20
Rot. Bonds3

About 3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole

3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 18576919) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole
PubChem CID18576919
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(Cc3nc4ccccc4[nH]3)no2)cc1
InChIInChI=1S/C16H12N4O/c1-2-6-11(7-3-1)16-19-15(20-21-16)10-14-17-12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H,17,18)
InChIKeyHXDGCPFASDACPL-UHFFFAOYSA-N
XLogP3.20
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole (CID 18576919) is 3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole is c1ccc(-c2nc(Cc3nc4ccccc4[nH]3)no2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is HXDGCPFASDACPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-2-6-11(7-3-1)16-19-15(20-21-16)10-14-17-12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole?
3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 276.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 18576919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).