2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole

C23H19F2N5O — CID 22380016

IUPAC2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole
SMILESCCn1c(Cc2ccnn2-c2cc(F)ccc2F)nc2cc(-c3ncc(C)o3)ccc21
InChIInChI=1S/C23H19F2N5O/c1-3-29-20-7-4-15(23-26-13-14(2)31-23)10-19(20)28-22(29)12-17-8-9-27-30(17)21-11-16(24)5-6-18(21)25/h4-11,13H,3,12H2,1-2H3
InChIKeyUFUWIDWZIKUEAE-UHFFFAOYSA-N
MW419.44 g/mol
LogP5.07
Rot. Bonds5

About 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole

2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole (PubChem CID 22380016) has the molecular formula C23H19F2N5O and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole
PubChem CID22380016
Molecular FormulaC23H19F2N5O
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole
SMILESCCn1c(Cc2ccnn2-c2cc(F)ccc2F)nc2cc(-c3ncc(C)o3)ccc21
InChIInChI=1S/C23H19F2N5O/c1-3-29-20-7-4-15(23-26-13-14(2)31-23)10-19(20)28-22(29)12-17-8-9-27-30(17)21-11-16(24)5-6-18(21)25/h4-11,13H,3,12H2,1-2H3
InChIKeyUFUWIDWZIKUEAE-UHFFFAOYSA-N
XLogP5.07
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole (CID 22380016) is 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole is CCn1c(Cc2ccnn2-c2cc(F)ccc2F)nc2cc(-c3ncc(C)o3)ccc21.
What is the InChIKey of 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole?
The InChIKey is UFUWIDWZIKUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O/c1-3-29-20-7-4-15(23-26-13-14(2)31-23)10-19(20)28-22(29)12-17-8-9-27-30(17)21-11-16(24)5-6-18(21)25/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole?
2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole has a molecular weight of 419.44 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 22380016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).