3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole

C18H16F3N5O — CID 121292997

IUPAC3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole
SMILESCc1nc2c(-c3cn(C)nc3C(F)(F)F)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C18H16F3N5O/c1-8-15(9(2)27-25-8)11-5-12(16-14(6-11)22-10(3)23-16)13-7-26(4)24-17(13)18(19,20)21/h5-7H,1-4H3,(H,22,23)
InChIKeyLGKXXLLCXBOSSZ-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.56
Rot. Bonds2

About 3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole

3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole (PubChem CID 121292997) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole
PubChem CID121292997
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole
SMILESCc1nc2c(-c3cn(C)nc3C(F)(F)F)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C18H16F3N5O/c1-8-15(9(2)27-25-8)11-5-12(16-14(6-11)22-10(3)23-16)13-7-26(4)24-17(13)18(19,20)21/h5-7H,1-4H3,(H,22,23)
InChIKeyLGKXXLLCXBOSSZ-UHFFFAOYSA-N
XLogP4.56
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.56
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-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole (CID 121292997) is 3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole is Cc1nc2c(-c3cn(C)nc3C(F)(F)F)cc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole?
The InChIKey is LGKXXLLCXBOSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c1-8-15(9(2)27-25-8)11-5-12(16-14(6-11)22-10(3)23-16)13-7-26(4)24-17(13)18(19,20)21/h5-7H,1-4H3,(H,22,23).
What are the key properties of 3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole has a molecular weight of 375.35 g/mol, XLogP of 4.56, 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-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 121292997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).