3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide

C20H21N3O2 — CID 99540046

IUPAC3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cccc(-n3ccnc3)c2)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-3-11-25-18-7-8-19(15(2)12-18)22-20(24)16-5-4-6-17(13-16)23-10-9-21-14-23/h4-10,12-14H,3,11H2,1-2H3,(H,22,24)
InChIKeyJZONQJVHKZJEBI-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.22
Rot. Bonds6

About 3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide

3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide (PubChem CID 99540046) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide
PubChem CID99540046
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cccc(-n3ccnc3)c2)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-3-11-25-18-7-8-19(15(2)12-18)22-20(24)16-5-4-6-17(13-16)23-10-9-21-14-23/h4-10,12-14H,3,11H2,1-2H3,(H,22,24)
InChIKeyJZONQJVHKZJEBI-UHFFFAOYSA-N
XLogP4.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide?
The IUPAC name of 3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide (CID 99540046) is 3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide?
The canonical SMILES for 3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2cccc(-n3ccnc3)c2)c(C)c1.
What is the InChIKey of 3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide?
The InChIKey is JZONQJVHKZJEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-11-25-18-7-8-19(15(2)12-18)22-20(24)16-5-4-6-17(13-16)23-10-9-21-14-23/h4-10,12-14H,3,11H2,1-2H3,(H,22,24).
What are the key properties of 3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide?
3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide is sourced from PubChem (CID 99540046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).