3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide

C19H19N3O3S — CID 167746306

IUPAC3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide
SMILESCN(C(=O)c1cccc(Cn2ccnc2)c1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H19N3O3S/c1-21(17-8-3-4-9-18(17)26(2,24)25)19(23)16-7-5-6-15(12-16)13-22-11-10-20-14-22/h3-12,14H,13H2,1-2H3
InChIKeyGQHXKKXGCGFCJG-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.61
Rot. Bonds5

About 3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide

3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide (PubChem CID 167746306) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide
PubChem CID167746306
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide
SMILESCN(C(=O)c1cccc(Cn2ccnc2)c1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H19N3O3S/c1-21(17-8-3-4-9-18(17)26(2,24)25)19(23)16-7-5-6-15(12-16)13-22-11-10-20-14-22/h3-12,14H,13H2,1-2H3
InChIKeyGQHXKKXGCGFCJG-UHFFFAOYSA-N
XLogP2.61
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(imidazol-1-ylmethyl)benzoate
CID 7219979
3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 47051632
N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide
CID 122157430
3-[(2-imidazol-1-ylethylamino)methyl]-N,N-dimethylbenzamide
CID 139020115
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 154795295
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[3-(methylsulfonylmethyl)phenyl]urea
CID 86871548
3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49344596
N-(3-imidazol-1-ylpropyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38103746
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-[3-(imidazol-1-ylmethyl)phenyl]methanone
CID 128984884
N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide
CID 122134954
3-(imidazol-1-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 155945227

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide (CID 167746306) is 3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide is CN(C(=O)c1cccc(Cn2ccnc2)c1)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide?
The InChIKey is GQHXKKXGCGFCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-21(17-8-3-4-9-18(17)26(2,24)25)19(23)16-7-5-6-15(12-16)13-22-11-10-20-14-22/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide?
3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide has a molecular weight of 369.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 167746306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).