2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol

C18H16F2N2O4 — CID 90115088

IUPAC2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol
SMILESCOc1cc(OC)cc(-c2nc[nH]c2-c2ccc(OC(F)F)c(O)c2)c1
InChIInChI=1S/C18H16F2N2O4/c1-24-12-5-11(6-13(8-12)25-2)17-16(21-9-22-17)10-3-4-15(14(23)7-10)26-18(19)20/h3-9,18,23H,1-2H3,(H,21,22)
InChIKeyIEPFFQSTJYDNOK-UHFFFAOYSA-N
MW362.33 g/mol
LogP4.07
Rot. Bonds6

About 2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol

2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol (PubChem CID 90115088) has the molecular formula C18H16F2N2O4 and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol
PubChem CID90115088
Molecular FormulaC18H16F2N2O4
Molecular Weight362.33 g/mol
Exact Mass362.11
IUPAC Name2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol
SMILESCOc1cc(OC)cc(-c2nc[nH]c2-c2ccc(OC(F)F)c(O)c2)c1
InChIInChI=1S/C18H16F2N2O4/c1-24-12-5-11(6-13(8-12)25-2)17-16(21-9-22-17)10-3-4-15(14(23)7-10)26-18(19)20/h3-9,18,23H,1-2H3,(H,21,22)
InChIKeyIEPFFQSTJYDNOK-UHFFFAOYSA-N
XLogP4.07
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol?
The IUPAC name of 2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol (CID 90115088) is 2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol?
The canonical SMILES for 2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol is COc1cc(OC)cc(-c2nc[nH]c2-c2ccc(OC(F)F)c(O)c2)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol?
The InChIKey is IEPFFQSTJYDNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4/c1-24-12-5-11(6-13(8-12)25-2)17-16(21-9-22-17)10-3-4-15(14(23)7-10)26-18(19)20/h3-9,18,23H,1-2H3,(H,21,22).
What are the key properties of 2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol?
2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol has a molecular weight of 362.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 90115088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).