5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide

C23H23N3O2S — CID 67875289

IUPAC5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide
SMILESCC1(Cc2ccc(CCc3ccccc3)c(S(N)(=O)=O)c2)N=c2ccccc2=N1
InChIInChI=1S/C23H23N3O2S/c1-23(25-20-9-5-6-10-21(20)26-23)16-18-12-14-19(22(15-18)29(24,27)28)13-11-17-7-3-2-4-8-17/h2-10,12,14-15H,11,13,16H2,1H3,(H2,24,27,28)
InChIKeyXSUVTZACPOMYJS-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.33
Rot. Bonds6

About 5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide

5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide (PubChem CID 67875289) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide
PubChem CID67875289
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide
SMILESCC1(Cc2ccc(CCc3ccccc3)c(S(N)(=O)=O)c2)N=c2ccccc2=N1
InChIInChI=1S/C23H23N3O2S/c1-23(25-20-9-5-6-10-21(20)26-23)16-18-12-14-19(22(15-18)29(24,27)28)13-11-17-7-3-2-4-8-17/h2-10,12,14-15H,11,13,16H2,1H3,(H2,24,27,28)
InChIKeyXSUVTZACPOMYJS-UHFFFAOYSA-N
XLogP2.33
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide
CID 67821426
2-[1-(2-methoxyphenyl)prop-2-enyl]-4-[(2-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 67907883
2-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 142811447
2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 66960528
potassium;hydride;2-phenylethanesulfonamide
CID 173120901
4-methyl-2-(2-phenylethyl)benzenesulfonic acid
CID 19769457
2-benzylbenzenesulfonamide;methane
CID 175312349
5-[3-(benzenesulfonyl)propyl]-2-methylbenzenesulfonamide
CID 90685872
2,3,5-trifluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide
CID 144609504
5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide
CID 18409158
benzene;2-phenylethylbenzene
CID 18982764
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide (CID 67875289) is 5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide is CC1(Cc2ccc(CCc3ccccc3)c(S(N)(=O)=O)c2)N=c2ccccc2=N1.
What is the InChIKey of 5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide?
The InChIKey is XSUVTZACPOMYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-23(25-20-9-5-6-10-21(20)26-23)16-18-12-14-19(22(15-18)29(24,27)28)13-11-17-7-3-2-4-8-17/h2-10,12,14-15H,11,13,16H2,1H3,(H2,24,27,28).
What are the key properties of 5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide?
5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylbenzimidazol-2-yl)methyl]-2-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 67875289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).