2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole

C12H16N4O — CID 115773517

IUPAC2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2cnc3c2CCCC3)o1
InChIInChI=1S/C12H16N4O/c1-2-11-14-15-12(17-11)7-16-8-13-9-5-3-4-6-10(9)16/h8H,2-7H2,1H3
InChIKeyROWPYRAHPFOMGB-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.76
Rot. Bonds3

About 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole

2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole (PubChem CID 115773517) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
PubChem CID115773517
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2cnc3c2CCCC3)o1
InChIInChI=1S/C12H16N4O/c1-2-11-14-15-12(17-11)7-16-8-13-9-5-3-4-6-10(9)16/h8H,2-7H2,1H3
InChIKeyROWPYRAHPFOMGB-UHFFFAOYSA-N
XLogP1.76
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole 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 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole (CID 115773517) is 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole is CCc1nnc(Cn2cnc3c2CCCC3)o1.
What is the InChIKey of 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is ROWPYRAHPFOMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-11-14-15-12(17-11)7-16-8-13-9-5-3-4-6-10(9)16/h8H,2-7H2,1H3.
What are the key properties of 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole?
2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 232.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 115773517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).