3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole

C18H19N5O — CID 121293088

IUPAC3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-c2c(C)nn(C)c2C)cc2[nH]cnc12
InChIInChI=1S/C18H19N5O/c1-9-16(11(3)23(5)21-9)13-6-14(17-10(2)22-24-12(17)4)18-15(7-13)19-8-20-18/h6-8H,1-5H3,(H,19,20)
InChIKeyYXRYFFGHGDOJLC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.85
Rot. Bonds2

About 3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole

3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole (PubChem CID 121293088) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
PubChem CID121293088
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-c2c(C)nn(C)c2C)cc2[nH]cnc12
InChIInChI=1S/C18H19N5O/c1-9-16(11(3)23(5)21-9)13-6-14(17-10(2)22-24-12(17)4)18-15(7-13)19-8-20-18/h6-8H,1-5H3,(H,19,20)
InChIKeyYXRYFFGHGDOJLC-UHFFFAOYSA-N
XLogP3.85
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole (CID 121293088) is 3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole is Cc1noc(C)c1-c1cc(-c2c(C)nn(C)c2C)cc2[nH]cnc12.
What is the InChIKey of 3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole?
The InChIKey is YXRYFFGHGDOJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-9-16(11(3)23(5)21-9)13-6-14(17-10(2)22-24-12(17)4)18-15(7-13)19-8-20-18/h6-8H,1-5H3,(H,19,20).
What are the key properties of 3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole?
3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole has a molecular weight of 321.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 121293088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).