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

C11H14N4O — CID 115773530

IUPAC2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(Cn2cnc3c2CCCC3)o1
InChIInChI=1S/C11H14N4O/c1-8-13-14-11(16-8)6-15-7-12-9-4-2-3-5-10(9)15/h7H,2-6H2,1H3
InChIKeyXDQFMCBGFMVAIP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.50
Rot. Bonds2

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

2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole (PubChem CID 115773530) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
PubChem CID115773530
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(Cn2cnc3c2CCCC3)o1
InChIInChI=1S/C11H14N4O/c1-8-13-14-11(16-8)6-15-7-12-9-4-2-3-5-10(9)15/h7H,2-6H2,1H3
InChIKeyXDQFMCBGFMVAIP-UHFFFAOYSA-N
XLogP1.50
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole (CID 115773530) is 2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole is Cc1nnc(Cn2cnc3c2CCCC3)o1.
What is the InChIKey of 2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is XDQFMCBGFMVAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-13-14-11(16-8)6-15-7-12-9-4-2-3-5-10(9)15/h7H,2-6H2,1H3.
What are the key properties of 2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole?
2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 115773530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).