N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide

C19H19N3O3S — CID 162627278

IUPACN-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide
SMILESCc1nc(-c2ccccc2)c(NC(=O)c2cccc(S(C)(=O)=O)c2)n1C
InChIInChI=1S/C19H19N3O3S/c1-13-20-17(14-8-5-4-6-9-14)18(22(13)2)21-19(23)15-10-7-11-16(12-15)26(3,24)25/h4-12H,1-3H3,(H,21,23)
InChIKeyRCNPIDKVFRKFES-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.05
Rot. Bonds4

About N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide

N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide (PubChem CID 162627278) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide
PubChem CID162627278
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide
SMILESCc1nc(-c2ccccc2)c(NC(=O)c2cccc(S(C)(=O)=O)c2)n1C
InChIInChI=1S/C19H19N3O3S/c1-13-20-17(14-8-5-4-6-9-14)18(22(13)2)21-19(23)15-10-7-11-16(12-15)26(3,24)25/h4-12H,1-3H3,(H,21,23)
InChIKeyRCNPIDKVFRKFES-UHFFFAOYSA-N
XLogP3.05
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164
N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
CID 79041374
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 134050002
N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 112691143
N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide
CID 60968772
N-bromo-3-methylsulfonylbenzamide
CID 174925666
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 7565654
2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 43341336
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide (CID 162627278) is N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide is Cc1nc(-c2ccccc2)c(NC(=O)c2cccc(S(C)(=O)=O)c2)n1C.
What is the InChIKey of N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide?
The InChIKey is RCNPIDKVFRKFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-20-17(14-8-5-4-6-9-14)18(22(13)2)21-19(23)15-10-7-11-16(12-15)26(3,24)25/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide?
N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-phenylimidazol-4-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 162627278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).