4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole

C18H13F2N3O2 — CID 31808004

IUPAC4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3cnc4cc(F)c(F)cc43)co2)cc1
InChIInChI=1S/C18H13F2N3O2/c1-24-13-4-2-11(3-5-13)18-22-12(9-25-18)8-23-10-21-16-6-14(19)15(20)7-17(16)23/h2-7,9-10H,8H2,1H3
InChIKeyCCARXMZQWJOANM-UHFFFAOYSA-N
MW341.32 g/mol
LogP4.03
Rot. Bonds4

About 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole

4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 31808004) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
PubChem CID31808004
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3cnc4cc(F)c(F)cc43)co2)cc1
InChIInChI=1S/C18H13F2N3O2/c1-24-13-4-2-11(3-5-13)18-22-12(9-25-18)8-23-10-21-16-6-14(19)15(20)7-17(16)23/h2-7,9-10H,8H2,1H3
InChIKeyCCARXMZQWJOANM-UHFFFAOYSA-N
XLogP4.03
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole (CID 31808004) is 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2nc(Cn3cnc4cc(F)c(F)cc43)co2)cc1.
What is the InChIKey of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is CCARXMZQWJOANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c1-24-13-4-2-11(3-5-13)18-22-12(9-25-18)8-23-10-21-16-6-14(19)15(20)7-17(16)23/h2-7,9-10H,8H2,1H3.
What are the key properties of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole?
4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 341.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 31808004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).