N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide

C25H23N3O2 — CID 25358093

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H23N3O2/c29-25(21-10-7-13-23(18-21)30-22-11-5-2-6-12-22)27-15-14-24-26-16-17-28(24)19-20-8-3-1-4-9-20/h1-13,16-18H,14-15,19H2,(H,27,29)
InChIKeyUUQBZLRAVHDQIV-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.70
Rot. Bonds8

About N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide (PubChem CID 25358093) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
PubChem CID25358093
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H23N3O2/c29-25(21-10-7-13-23(18-21)30-22-11-5-2-6-12-22)27-15-14-24-26-16-17-28(24)19-20-8-3-1-4-9-20/h1-13,16-18H,14-15,19H2,(H,27,29)
InChIKeyUUQBZLRAVHDQIV-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
CID 134027622
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 134039749
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134027547
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 134027595
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 43059032
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
3-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17448491
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide (CID 25358093) is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide is O=C(NCCc1nccn1Cc1ccccc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide?
The InChIKey is UUQBZLRAVHDQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-25(21-10-7-13-23(18-21)30-22-11-5-2-6-12-22)27-15-14-24-26-16-17-28(24)19-20-8-3-1-4-9-20/h1-13,16-18H,14-15,19H2,(H,27,29).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide has a molecular weight of 397.48 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide is sourced from PubChem (CID 25358093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).