N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline

C18H19N3O2S — CID 75385215

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline
SMILESCS(=O)(=O)Cc1ccccc1NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-24(22,23)13-16-4-2-3-5-18(16)20-12-15-6-8-17(9-7-15)21-11-10-19-14-21/h2-11,14,20H,12-13H2,1H3
InChIKeyHWBYLEPEPCUNGD-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.03
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline

N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline (PubChem CID 75385215) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline
PubChem CID75385215
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline
SMILESCS(=O)(=O)Cc1ccccc1NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-24(22,23)13-16-4-2-3-5-18(16)20-12-15-6-8-17(9-7-15)21-11-10-19-14-21/h2-11,14,20H,12-13H2,1H3
InChIKeyHWBYLEPEPCUNGD-UHFFFAOYSA-N
XLogP3.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
3-bromo-N-[(4-imidazol-1-ylphenyl)methyl]-2-methylaniline
CID 107630089
3-[(4-imidazol-1-ylphenyl)methylamino]-2-nitrobenzenesulfonamide
CID 133454757
2-bromo-N-[(4-imidazol-1-ylphenyl)methyl]-5-methylaniline
CID 82745549
N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43777191
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229402
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 78871095
5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one
CID 60931656
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline (CID 75385215) is N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline is CS(=O)(=O)Cc1ccccc1NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline?
The InChIKey is HWBYLEPEPCUNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-24(22,23)13-16-4-2-3-5-18(16)20-12-15-6-8-17(9-7-15)21-11-10-19-14-21/h2-11,14,20H,12-13H2,1H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline?
N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline has a molecular weight of 341.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline is sourced from PubChem (CID 75385215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).