2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole

C12H16N4O — CID 115773591

IUPAC2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(Cn2c(C)nc3c2CCCC3)o1
InChIInChI=1S/C12H16N4O/c1-8-13-10-5-3-4-6-11(10)16(8)7-12-15-14-9(2)17-12/h3-7H2,1-2H3
InChIKeyOGGWTSVINBOZHE-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole

2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 115773591) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID115773591
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(Cn2c(C)nc3c2CCCC3)o1
InChIInChI=1S/C12H16N4O/c1-8-13-10-5-3-4-6-11(10)16(8)7-12-15-14-9(2)17-12/h3-7H2,1-2H3
InChIKeyOGGWTSVINBOZHE-UHFFFAOYSA-N
XLogP1.81
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole (CID 115773591) is 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole is Cc1nnc(Cn2c(C)nc3c2CCCC3)o1.
What is the InChIKey of 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is OGGWTSVINBOZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-13-10-5-3-4-6-11(10)16(8)7-12-15-14-9(2)17-12/h3-7H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 232.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 115773591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).