2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide

C21H23N3O2 — CID 50984888

IUPAC2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide
SMILESCCCCn1cnc(-c2ccccc2)c1-c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C21H23N3O2/c1-2-3-13-24-15-23-20(16-7-5-4-6-8-16)21(24)17-9-11-18(12-10-17)26-14-19(22)25/h4-12,15H,2-3,13-14H2,1H3,(H2,22,25)
InChIKeyGWBNLTAKOUBZNF-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.88
Rot. Bonds8

About 2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide

2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide (PubChem CID 50984888) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide
PubChem CID50984888
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide
SMILESCCCCn1cnc(-c2ccccc2)c1-c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C21H23N3O2/c1-2-3-13-24-15-23-20(16-7-5-4-6-8-16)21(24)17-9-11-18(12-10-17)26-14-19(22)25/h4-12,15H,2-3,13-14H2,1H3,(H2,22,25)
InChIKeyGWBNLTAKOUBZNF-UHFFFAOYSA-N
XLogP3.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide?
The IUPAC name of 2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide (CID 50984888) is 2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide is CCCCn1cnc(-c2ccccc2)c1-c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide?
The InChIKey is GWBNLTAKOUBZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-3-13-24-15-23-20(16-7-5-4-6-8-16)21(24)17-9-11-18(12-10-17)26-14-19(22)25/h4-12,15H,2-3,13-14H2,1H3,(H2,22,25).
What are the key properties of 2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide?
2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 50984888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).