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

C18H21N3O2S — CID 138974549

IUPACN-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NC(C)CN2Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2S/c1-14-8-10-17(11-9-14)24(22,23)20-18-19-15(2)12-21(18)13-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)
InChIKeyDLEGFRRLGIDLGI-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.53
Rot. Bonds4

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

N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 138974549) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID138974549
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NC(C)CN2Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2S/c1-14-8-10-17(11-9-14)24(22,23)20-18-19-15(2)12-21(18)13-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)
InChIKeyDLEGFRRLGIDLGI-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
CID 10617361
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 42869133
N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide
CID 102506802
3-benzyl-8-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane
CID 74600347
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]-4-methylbenzenesulfonamide
CID 12056537
1-benzyl-4-(bromomethyl)-3-[(4-methylphenyl)sulfonylmethyl]pyrrolidin-2-one
CID 85096193
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-methylbenzenesulfonamide
CID 71579439
N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67647245
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide (CID 138974549) is N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NC(C)CN2Cc2ccccc2)cc1.
What is the InChIKey of N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is DLEGFRRLGIDLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14-8-10-17(11-9-14)24(22,23)20-18-19-15(2)12-21(18)13-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide?
N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 138974549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).