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

C18H17F2N5O — CID 121442923

IUPAC4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc2c(-c3cn(C)nc3C(F)F)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C18H17F2N5O/c1-8-15(9(2)26-24-8)11-5-12(16-14(6-11)21-10(3)22-16)13-7-25(4)23-17(13)18(19)20/h5-7,18H,1-4H3,(H,21,22)
InChIKeyJTBRRSWLNRFAPN-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.48
Rot. Bonds3

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

4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 121442923) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID121442923
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1nc2c(-c3cn(C)nc3C(F)F)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C18H17F2N5O/c1-8-15(9(2)26-24-8)11-5-12(16-14(6-11)21-10(3)22-16)13-7-25(4)23-17(13)18(19)20/h5-7,18H,1-4H3,(H,21,22)
InChIKeyJTBRRSWLNRFAPN-UHFFFAOYSA-N
XLogP4.48
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 121442923) is 4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1nc2c(-c3cn(C)nc3C(F)F)cc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is JTBRRSWLNRFAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c1-8-15(9(2)26-24-8)11-5-12(16-14(6-11)21-10(3)22-16)13-7-25(4)23-17(13)18(19)20/h5-7,18H,1-4H3,(H,21,22).
What are the key properties of 4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 357.36 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 121442923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).