N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine

C16H23N3O2S — CID 56739287

IUPACN,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine
SMILESCCN(CC)CCn1ccnc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H23N3O2S/c1-4-18(5-2)12-13-19-11-10-17-16(19)14-6-8-15(9-7-14)22(3,20)21/h6-11H,4-5,12-13H2,1-3H3
InChIKeyAVUYNHXURFXTNZ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.30
Rot. Bonds7

About N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine

N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine (PubChem CID 56739287) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine
PubChem CID56739287
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine
SMILESCCN(CC)CCn1ccnc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H23N3O2S/c1-4-18(5-2)12-13-19-11-10-17-16(19)14-6-8-15(9-7-14)22(3,20)21/h6-11H,4-5,12-13H2,1-3H3
InChIKeyAVUYNHXURFXTNZ-UHFFFAOYSA-N
XLogP2.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 82562213
1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole
CID 165425245
2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole
CID 56871314
N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine
CID 56758299
4-(1-propylimidazol-2-yl)benzaldehyde
CID 63975190
N,N-diethyl-4-(1-methylsulfonylimidazol-2-yl)aniline
CID 110538941
2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole
CID 82562212
1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
CID 56889384
4-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]-N-methylbenzenesulfonamide
CID 56875262
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine (CID 56739287) is N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine is CCN(CC)CCn1ccnc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine?
The InChIKey is AVUYNHXURFXTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-4-18(5-2)12-13-19-11-10-17-16(19)14-6-8-15(9-7-14)22(3,20)21/h6-11H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine?
N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine has a molecular weight of 321.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 56739287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).