4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide

C22H23N3O3 — CID 121495738

IUPAC4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1ccc(-c2ccc(OCCn3ccnc3)cc2)cc1
InChIInChI=1S/C22H23N3O3/c26-22(24-20-9-13-27-15-20)19-3-1-17(2-4-19)18-5-7-21(8-6-18)28-14-12-25-11-10-23-16-25/h1-8,10-11,16,20H,9,12-15H2,(H,24,26)
InChIKeyNFWRZPZGYFSIAZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.15
Rot. Bonds7

About 4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide

4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide (PubChem CID 121495738) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide
PubChem CID121495738
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1ccc(-c2ccc(OCCn3ccnc3)cc2)cc1
InChIInChI=1S/C22H23N3O3/c26-22(24-20-9-13-27-15-20)19-3-1-17(2-4-19)18-5-7-21(8-6-18)28-14-12-25-11-10-23-16-25/h1-8,10-11,16,20H,9,12-15H2,(H,24,26)
InChIKeyNFWRZPZGYFSIAZ-UHFFFAOYSA-N
XLogP3.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide?
The IUPAC name of 4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide (CID 121495738) is 4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide is O=C(NC1CCOC1)c1ccc(-c2ccc(OCCn3ccnc3)cc2)cc1.
What is the InChIKey of 4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide?
The InChIKey is NFWRZPZGYFSIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22(24-20-9-13-27-15-20)19-3-1-17(2-4-19)18-5-7-21(8-6-18)28-14-12-25-11-10-23-16-25/h1-8,10-11,16,20H,9,12-15H2,(H,24,26).
What are the key properties of 4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide?
4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 121495738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).