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

C13H18N4O — CID 115773578

IUPAC2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2c(C)nc3c2CCCC3)o1
InChIInChI=1S/C13H18N4O/c1-3-12-15-16-13(18-12)8-17-9(2)14-10-6-4-5-7-11(10)17/h3-8H2,1-2H3
InChIKeyZNWPZHZUENKAAF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.06
Rot. Bonds3

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

2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 115773578) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID115773578
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2c(C)nc3c2CCCC3)o1
InChIInChI=1S/C13H18N4O/c1-3-12-15-16-13(18-12)8-17-9(2)14-10-6-4-5-7-11(10)17/h3-8H2,1-2H3
InChIKeyZNWPZHZUENKAAF-UHFFFAOYSA-N
XLogP2.06
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole (CID 115773578) is 2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole is CCc1nnc(Cn2c(C)nc3c2CCCC3)o1.
What is the InChIKey of 2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ZNWPZHZUENKAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-12-15-16-13(18-12)8-17-9(2)14-10-6-4-5-7-11(10)17/h3-8H2,1-2H3.
What are the key properties of 2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 246.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 115773578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).