N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide

C18H21N3O2S — CID 10617361

IUPACN-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NC(Cc3ccccc3)CN2C)cc1
InChIInChI=1S/C18H21N3O2S/c1-14-8-10-17(11-9-14)24(22,23)20-18-19-16(13-21(18)2)12-15-6-4-3-5-7-15/h3-11,16H,12-13H2,1-2H3,(H,19,20)
InChIKeyKNDMWWLTAONBKJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.19
Rot. Bonds4

About N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide

N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 10617361) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID10617361
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NC(Cc3ccccc3)CN2C)cc1
InChIInChI=1S/C18H21N3O2S/c1-14-8-10-17(11-9-14)24(22,23)20-18-19-16(13-21(18)2)12-15-6-4-3-5-7-15/h3-11,16H,12-13H2,1-2H3,(H,19,20)
InChIKeyKNDMWWLTAONBKJ-UHFFFAOYSA-N
XLogP2.19
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
CID 138974549
N-[5-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide
CID 139230545
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
(4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine
CID 10658971
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
N-[(7R,8aR)-5-oxo-7-(2-phenylethyl)-1,7,8,8a-tetrahydroimidazo[1,5-c][1,3]oxazin-3-yl]-4-methylbenzenesulfonamide
CID 132600669
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944785
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 3940989
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide (CID 10617361) is N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NC(Cc3ccccc3)CN2C)cc1.
What is the InChIKey of N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is KNDMWWLTAONBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14-8-10-17(11-9-14)24(22,23)20-18-19-16(13-21(18)2)12-15-6-4-3-5-7-15/h3-11,16H,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide?
N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 10617361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).