N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline

C18H19N3O2S — CID 22600055

IUPACN,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline
SMILESCN(C)c1ccc(-c2cncn2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-20(2)15-6-4-14(5-7-15)18-12-19-13-21(18)16-8-10-17(11-9-16)24(3,22)23/h4-13H,1-3H3
InChIKeyRTDUIHJVGHDXMJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.01
Rot. Bonds4

About N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline

N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline (PubChem CID 22600055) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline
PubChem CID22600055
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline
SMILESCN(C)c1ccc(-c2cncn2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-20(2)15-6-4-14(5-7-15)18-12-19-13-21(18)16-8-10-17(11-9-16)24(3,22)23/h4-13H,1-3H3
InChIKeyRTDUIHJVGHDXMJ-UHFFFAOYSA-N
XLogP3.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline (CID 22600055) is N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline is CN(C)c1ccc(-c2cncn2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline?
The InChIKey is RTDUIHJVGHDXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-20(2)15-6-4-14(5-7-15)18-12-19-13-21(18)16-8-10-17(11-9-16)24(3,22)23/h4-13H,1-3H3.
What are the key properties of N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline?
N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline has a molecular weight of 341.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)imidazol-4-yl]aniline is sourced from PubChem (CID 22600055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).