5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole

C23H22N6O — CID 86905057

IUPAC5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole
SMILESCc1cc(C)n(Cc2cccc(-c3noc(-c4ccc5c(c4)nc(C)n5C)n3)c2)n1
InChIInChI=1S/C23H22N6O/c1-14-10-15(2)29(26-14)13-17-6-5-7-18(11-17)22-25-23(30-27-22)19-8-9-21-20(12-19)24-16(3)28(21)4/h5-12H,13H2,1-4H3
InChIKeyFOLSXSWMEHJZDF-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.46
Rot. Bonds4

About 5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole

5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole (PubChem CID 86905057) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole
PubChem CID86905057
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole
SMILESCc1cc(C)n(Cc2cccc(-c3noc(-c4ccc5c(c4)nc(C)n5C)n3)c2)n1
InChIInChI=1S/C23H22N6O/c1-14-10-15(2)29(26-14)13-17-6-5-7-18(11-17)22-25-23(30-27-22)19-8-9-21-20(12-19)24-16(3)28(21)4/h5-12H,13H2,1-4H3
InChIKeyFOLSXSWMEHJZDF-UHFFFAOYSA-N
XLogP4.46
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 136562024
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole
CID 154768841
3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1,2-dimethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 86905042
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120840924
[4-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine;hydrochloride
CID 120955818
(2S)-2-amino-N-[[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120840932
(2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120840936
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120840882
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562849
5-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19328276
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72844030
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole (CID 86905057) is 5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole is Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccc5c(c4)nc(C)n5C)n3)c2)n1.
What is the InChIKey of 5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
The InChIKey is FOLSXSWMEHJZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-14-10-15(2)29(26-14)13-17-6-5-7-18(11-17)22-25-23(30-27-22)19-8-9-21-20(12-19)24-16(3)28(21)4/h5-12H,13H2,1-4H3.
What are the key properties of 5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole?
5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole has a molecular weight of 398.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86905057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).