3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole

C18H16N4O — CID 122180505

IUPAC3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1
InChIInChI=1S/C18H16N4O/c1-2-3-12-4-6-13(7-5-12)18-21-17(22-23-18)14-8-9-15-16(10-14)20-11-19-15/h4-11H,2-3H2,1H3,(H,19,20)
InChIKeyLMJZAVFSAJYKBD-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.23
Rot. Bonds4

About 3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole

3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole (PubChem CID 122180505) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole
PubChem CID122180505
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1
InChIInChI=1S/C18H16N4O/c1-2-3-12-4-6-13(7-5-12)18-21-17(22-23-18)14-8-9-15-16(10-14)20-11-19-15/h4-11H,2-3H2,1H3,(H,19,20)
InChIKeyLMJZAVFSAJYKBD-UHFFFAOYSA-N
XLogP4.23
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 166213858
5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 175923429
3-(3H-benzimidazol-5-yl)-5-[4-(fluoromethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;fluoroform
CID 162079065
3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214344
2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide
CID 56905612
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(1,1,1-trifluoropropan-2-yloxy)benzonitrile;hydrochloride
CID 162340598
3-(3H-benzimidazol-5-yl)-5-[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214167
6-pentyl-1H-benzimidazole
CID 58767911
3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole
CID 97454577
3-(4-heptoxyphenyl)-5-(4-heptylphenyl)-1,2,4-oxadiazole
CID 3095312
(5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one
CID 97115262

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole (CID 122180505) is 3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole is CCCc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole?
The InChIKey is LMJZAVFSAJYKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-3-12-4-6-13(7-5-12)18-21-17(22-23-18)14-8-9-15-16(10-14)20-11-19-15/h4-11H,2-3H2,1H3,(H,19,20).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole?
3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole has a molecular weight of 304.35 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 122180505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).