3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole

C18H24N4O — CID 28697224

IUPAC3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole
SMILESCCc1nc2ccccc2n1[C@@H](CC)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H24N4O/c1-6-13(16-20-17(21-23-16)18(3,4)5)22-14-11-9-8-10-12(14)19-15(22)7-2/h8-11,13H,6-7H2,1-5H3/t13-/m0/s1
InChIKeySLGYNCSAJMUOJD-ZDUSSCGKSA-N
MW312.42 g/mol
LogP4.28
Rot. Bonds4

About 3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole

3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole (PubChem CID 28697224) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole
PubChem CID28697224
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole
SMILESCCc1nc2ccccc2n1[C@@H](CC)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H24N4O/c1-6-13(16-20-17(21-23-16)18(3,4)5)22-14-11-9-8-10-12(14)19-15(22)7-2/h8-11,13H,6-7H2,1-5H3/t13-/m0/s1
InChIKeySLGYNCSAJMUOJD-ZDUSSCGKSA-N
XLogP4.28
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-5-[1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 154889937
3-tert-butyl-5-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 37332293
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
1-but-3-en-2-yl-2-ethylbenzimidazole
CID 116622499
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
2-(2-ethylbenzimidazol-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63105995
N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 63105068
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
methyl 3-(2-ethylbenzimidazol-1-yl)butanoate
CID 63106169
1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
CID 63104680
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole (CID 28697224) is 3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole is CCc1nc2ccccc2n1[C@@H](CC)c1nc(C(C)(C)C)no1.
What is the InChIKey of 3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole?
The InChIKey is SLGYNCSAJMUOJD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O/c1-6-13(16-20-17(21-23-16)18(3,4)5)22-14-11-9-8-10-12(14)19-15(22)7-2/h8-11,13H,6-7H2,1-5H3/t13-/m0/s1.
What are the key properties of 3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole has a molecular weight of 312.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(1S)-1-(2-ethylbenzimidazol-1-yl)propyl]-1,2,4-oxadiazole is sourced from PubChem (CID 28697224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).