3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide

C20H19F2N3O3 — CID 153339145

IUPAC3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide
SMILESCC1=NC(c2cccc(C(N)=O)c2)(c2ccc(OC(F)F)c(C)c2)C(=O)N1C
InChIInChI=1S/C20H19F2N3O3/c1-11-9-15(7-8-16(11)28-19(21)22)20(18(27)25(3)12(2)24-20)14-6-4-5-13(10-14)17(23)26/h4-10,19H,1-3H3,(H2,23,26)
InChIKeyQIOSDXIBVUXXJC-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.83
Rot. Bonds5

About 3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide

3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide (PubChem CID 153339145) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide
PubChem CID153339145
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide
SMILESCC1=NC(c2cccc(C(N)=O)c2)(c2ccc(OC(F)F)c(C)c2)C(=O)N1C
InChIInChI=1S/C20H19F2N3O3/c1-11-9-15(7-8-16(11)28-19(21)22)20(18(27)25(3)12(2)24-20)14-6-4-5-13(10-14)17(23)26/h4-10,19H,1-3H3,(H2,23,26)
InChIKeyQIOSDXIBVUXXJC-UHFFFAOYSA-N
XLogP2.83
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide?
The IUPAC name of 3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide (CID 153339145) is 3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide.
What is the SMILES notation for 3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide?
The canonical SMILES for 3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide is CC1=NC(c2cccc(C(N)=O)c2)(c2ccc(OC(F)F)c(C)c2)C(=O)N1C.
What is the InChIKey of 3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide?
The InChIKey is QIOSDXIBVUXXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-11-9-15(7-8-16(11)28-19(21)22)20(18(27)25(3)12(2)24-20)14-6-4-5-13(10-14)17(23)26/h4-10,19H,1-3H3,(H2,23,26).
What are the key properties of 3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide?
3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide has a molecular weight of 387.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dimethyl-5-oxoimidazol-4-yl]benzamide is sourced from PubChem (CID 153339145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).