N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide

C23H25N3O2S — CID 67821805

IUPACN-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide
SMILESCN(Cc1ccc(CC2(C)Nc3ccccc3N2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-23(24-21-10-6-7-11-22(21)25-23)16-18-12-14-19(15-13-18)17-26(2)29(27,28)20-8-4-3-5-9-20/h3-15,24-25H,16-17H2,1-2H3
InChIKeyPWMDXIFXOXANOV-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.30
Rot. Bonds6

About N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide

N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide (PubChem CID 67821805) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide
PubChem CID67821805
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide
SMILESCN(Cc1ccc(CC2(C)Nc3ccccc3N2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-23(24-21-10-6-7-11-22(21)25-23)16-18-12-14-19(15-13-18)17-26(2)29(27,28)20-8-4-3-5-9-20/h3-15,24-25H,16-17H2,1-2H3
InChIKeyPWMDXIFXOXANOV-UHFFFAOYSA-N
XLogP4.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
ethyl 4-[[benzenesulfonyl(methyl)amino]methyl]benzoate
CID 100553127
N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide
CID 58932585
N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 68839024
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide
CID 54331699

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide (CID 67821805) is N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide is CN(Cc1ccc(CC2(C)Nc3ccccc3N2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is PWMDXIFXOXANOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-23(24-21-10-6-7-11-22(21)25-23)16-18-12-14-19(15-13-18)17-26(2)29(27,28)20-8-4-3-5-9-20/h3-15,24-25H,16-17H2,1-2H3.
What are the key properties of N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide?
N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[(2-methyl-1,3-dihydrobenzimidazol-2-yl)methyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 67821805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).