3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide

C25H23N3O3 — CID 24788727

IUPAC3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(C)c(-c3ncc(-c4ccccc4)[nH]3)c2)c1
InChIInChI=1S/C25H23N3O3/c1-16-9-10-19(27-25(29)18-11-20(30-2)14-21(12-18)31-3)13-22(16)24-26-15-23(28-24)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyUAPTZRKLJGVDTE-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.32
Rot. Bonds6

About 3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide

3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide (PubChem CID 24788727) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
PubChem CID24788727
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(C)c(-c3ncc(-c4ccccc4)[nH]3)c2)c1
InChIInChI=1S/C25H23N3O3/c1-16-9-10-19(27-25(29)18-11-20(30-2)14-21(12-18)31-3)13-22(16)24-26-15-23(28-24)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyUAPTZRKLJGVDTE-UHFFFAOYSA-N
XLogP5.32
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide (CID 24788727) is 3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(C)c(-c3ncc(-c4ccccc4)[nH]3)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
The InChIKey is UAPTZRKLJGVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-9-10-19(27-25(29)18-11-20(30-2)14-21(12-18)31-3)13-22(16)24-26-15-23(28-24)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 24788727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).