3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide

C19H19N3O2 — CID 67599560

IUPAC3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide
SMILESCCCc1c(Oc2ccc(-n3ccnc3)cc2)cccc1C(N)=O
InChIInChI=1S/C19H19N3O2/c1-2-4-16-17(19(20)23)5-3-6-18(16)24-15-9-7-14(8-10-15)22-12-11-21-13-22/h3,5-13H,2,4H2,1H3,(H2,20,23)
InChIKeyBKSWVFVFVCKHMC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.72
Rot. Bonds6

About 3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide

3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide (PubChem CID 67599560) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide.

Molecular Properties

Compound Name3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide
PubChem CID67599560
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide
SMILESCCCc1c(Oc2ccc(-n3ccnc3)cc2)cccc1C(N)=O
InChIInChI=1S/C19H19N3O2/c1-2-4-16-17(19(20)23)5-3-6-18(16)24-15-9-7-14(8-10-15)22-12-11-21-13-22/h3,5-13H,2,4H2,1H3,(H2,20,23)
InChIKeyBKSWVFVFVCKHMC-UHFFFAOYSA-N
XLogP3.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate
CID 47083356
4-imidazol-1-yl-2-methylbenzamide
CID 81276047
2-but-1-enyl-4-(4-imidazol-1-ylphenoxy)isoindole-1,3-dione
CID 67599348
4-imidazol-1-yl-2-methoxybenzamide
CID 59564308
(4-imidazol-1-ylphenyl) acetate
CID 594823
1-(4-butan-2-yloxyphenyl)imidazole
CID 91295981
N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
CID 39567819
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
3-bromo-2-propylbenzamide
CID 69458474
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777
3-methyl-4-(3-methylphenoxy)-2-propylbenzamide
CID 158032751
1-(2-imidazol-1-ylphenyl)propan-1-one
CID 18474619

Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide?
The IUPAC name of 3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide (CID 67599560) is 3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide.
What is the SMILES notation for 3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide?
The canonical SMILES for 3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide is CCCc1c(Oc2ccc(-n3ccnc3)cc2)cccc1C(N)=O.
What is the InChIKey of 3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide?
The InChIKey is BKSWVFVFVCKHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-4-16-17(19(20)23)5-3-6-18(16)24-15-9-7-14(8-10-15)22-12-11-21-13-22/h3,5-13H,2,4H2,1H3,(H2,20,23).
What are the key properties of 3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide?
3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide is sourced from PubChem (CID 67599560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).