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

C12H12N4O — CID 16615146

IUPAC3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C12H12N4O/c1-2-12-15-11(16-17-12)7-10-13-8-5-3-4-6-9(8)14-10/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyPEJXQYDCBBWSJR-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.10
Rot. Bonds3

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

3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole (PubChem CID 16615146) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
PubChem CID16615146
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C12H12N4O/c1-2-12-15-11(16-17-12)7-10-13-8-5-3-4-6-9(8)14-10/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyPEJXQYDCBBWSJR-UHFFFAOYSA-N
XLogP2.10
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 63641529
5-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63637029
(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915286
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63639137
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 63637550
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63639809
N-[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63640674
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 98566278
3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 63637202
3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79369749
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole (CID 16615146) is 3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole is CCc1nc(Cc2nc3ccccc3[nH]2)no1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole?
The InChIKey is PEJXQYDCBBWSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-2-12-15-11(16-17-12)7-10-13-8-5-3-4-6-9(8)14-10/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole?
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole has a molecular weight of 228.25 g/mol, XLogP of 2.10, 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-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 16615146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).