3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole

C23H17N7O — CID 86905042

IUPAC3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCc1nc2cc(-c3nc(-c4ccc(-n5cnc6ccccc65)nc4)no3)ccc2n1C
InChIInChI=1S/C23H17N7O/c1-14-26-18-11-15(7-9-19(18)29(14)2)23-27-22(28-31-23)16-8-10-21(24-12-16)30-13-25-17-5-3-4-6-20(17)30/h3-13H,1-2H3
InChIKeyFUXJKBNXDFFTKC-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.33
Rot. Bonds3

About 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole

3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 86905042) has the molecular formula C23H17N7O and a molecular weight of 407.44 g/mol. Its IUPAC name is 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID86905042
Molecular FormulaC23H17N7O
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCc1nc2cc(-c3nc(-c4ccc(-n5cnc6ccccc65)nc4)no3)ccc2n1C
InChIInChI=1S/C23H17N7O/c1-14-26-18-11-15(7-9-19(18)29(14)2)23-27-22(28-31-23)16-8-10-21(24-12-16)30-13-25-17-5-3-4-6-20(17)30/h3-13H,1-2H3
InChIKeyFUXJKBNXDFFTKC-UHFFFAOYSA-N
XLogP4.33
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 71931961
5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 154751778
5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole
CID 86905057
2-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine;hydrochloride
CID 120840066
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53171722
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
[3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 154844131
5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030827
6-(benzimidazol-1-yl)pyridine-3-carboxamide
CID 90958614
methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
CID 4298771
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 49046400

Frequently Asked Questions

What is the IUPAC name of 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 86905042) is 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole is Cc1nc2cc(-c3nc(-c4ccc(-n5cnc6ccccc65)nc4)no3)ccc2n1C.
What is the InChIKey of 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is FUXJKBNXDFFTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O/c1-14-26-18-11-15(7-9-19(18)29(14)2)23-27-22(28-31-23)16-8-10-21(24-12-16)30-13-25-17-5-3-4-6-20(17)30/h3-13H,1-2H3.
What are the key properties of 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 407.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 86905042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).