N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide

C25H26N4O — CID 134039609

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C25H26N4O/c1-18-21-10-6-7-11-23(21)28-19(2)22(18)16-25(30)27-13-12-24-26-14-15-29(24)17-20-8-4-3-5-9-20/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,27,30)
InChIKeyIKGHOBBSIFRIJR-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.00
Rot. Bonds7

About N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide (PubChem CID 134039609) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
PubChem CID134039609
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C25H26N4O/c1-18-21-10-6-7-11-23(21)28-19(2)22(18)16-25(30)27-13-12-24-26-14-15-29(24)17-20-8-4-3-5-9-20/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,27,30)
InChIKeyIKGHOBBSIFRIJR-UHFFFAOYSA-N
XLogP4.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134039804
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 27861043
2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 17393557
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 55726824
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 86919898
2-(2,4-dimethylquinolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 52706430
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide (CID 134039609) is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The InChIKey is IKGHOBBSIFRIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-21-10-6-7-11-23(21)28-19(2)22(18)16-25(30)27-13-12-24-26-14-15-29(24)17-20-8-4-3-5-9-20/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 4.00, 7 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]-2-(2,4-dimethylquinolin-3-yl)acetamide is sourced from PubChem (CID 134039609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).