N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide

C21H23N3O3S — CID 86919898

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C21H23N3O3S/c1-16-8-9-18(28(2,26)27)14-19(16)21(25)23-11-10-20-22-12-13-24(20)15-17-6-4-3-5-7-17/h3-9,12-14H,10-11,15H2,1-2H3,(H,23,25)
InChIKeyLACJHBWMFWKYHD-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 86919898) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID86919898
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C21H23N3O3S/c1-16-8-9-18(28(2,26)27)14-19(16)21(25)23-11-10-20-22-12-13-24(20)15-17-6-4-3-5-7-17/h3-9,12-14H,10-11,15H2,1-2H3,(H,23,25)
InChIKeyLACJHBWMFWKYHD-UHFFFAOYSA-N
XLogP2.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
CID 134027622
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
CID 25358093
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 134039749
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 134039609
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134039942
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134027552

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide (CID 86919898) is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is LACJHBWMFWKYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-16-8-9-18(28(2,26)27)14-19(16)21(25)23-11-10-20-22-12-13-24(20)15-17-6-4-3-5-7-17/h3-9,12-14H,10-11,15H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 397.50 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 86919898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).