N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide

C23H21N5O2 — CID 86996884

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C23H21N5O2/c29-22(23(30)27-19-8-9-20-18(15-19)7-4-11-24-20)26-12-10-21-25-13-14-28(21)16-17-5-2-1-3-6-17/h1-9,11,13-15H,10,12,16H2,(H,26,29)(H,27,30)
InChIKeyHIMXYPSOBKMWSH-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide (PubChem CID 86996884) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide
PubChem CID86996884
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C23H21N5O2/c29-22(23(30)27-19-8-9-20-18(15-19)7-4-11-24-20)26-12-10-21-25-13-14-28(21)16-17-5-2-1-3-6-17/h1-9,11,13-15H,10,12,16H2,(H,26,29)(H,27,30)
InChIKeyHIMXYPSOBKMWSH-UHFFFAOYSA-N
XLogP2.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
N-(cyanomethyl)-N'-quinolin-6-yloxamide
CID 62634263
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
CID 25358093
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
N-quinolin-6-ylbenzamide
CID 833617
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
CID 23397135

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide (CID 86996884) is N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide is O=C(NCCc1nccn1Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide?
The InChIKey is HIMXYPSOBKMWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-22(23(30)27-19-8-9-20-18(15-19)7-4-11-24-20)26-12-10-21-25-13-14-28(21)16-17-5-2-1-3-6-17/h1-9,11,13-15H,10,12,16H2,(H,26,29)(H,27,30).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide has a molecular weight of 399.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide is sourced from PubChem (CID 86996884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).