2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole

C17H18N2O2S — CID 174939258

IUPAC2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2c(C)nc3c(C)c(C)ccc32)cc1
InChIInChI=1S/C17H18N2O2S/c1-11-5-8-15(9-6-11)22(20,21)19-14(4)18-17-13(3)12(2)7-10-16(17)19/h5-10H,1-4H3
InChIKeyPWOZYPOUOPWHJJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.51
Rot. Bonds2

About 2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole

2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole (PubChem CID 174939258) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
PubChem CID174939258
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2c(C)nc3c(C)c(C)ccc32)cc1
InChIInChI=1S/C17H18N2O2S/c1-11-5-8-15(9-6-11)22(20,21)19-14(4)18-17-13(3)12(2)7-10-16(17)19/h5-10H,1-4H3
InChIKeyPWOZYPOUOPWHJJ-UHFFFAOYSA-N
XLogP3.51
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6,7-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 141175865
5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 156524125
7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 67220315
2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazolo[4,5-b]pyridine
CID 170960246
5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
2,5-dimethyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpyrrole
CID 139886765
4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole
CID 133058893
1-(benzenesulfonyl)-4-(4-hydroxypiperazin-1-yl)-2-methylbenzimidazole
CID 156596830
1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole
CID 46204683

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole?
The IUPAC name of 2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole (CID 174939258) is 2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole is Cc1ccc(S(=O)(=O)n2c(C)nc3c(C)c(C)ccc32)cc1.
What is the InChIKey of 2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole?
The InChIKey is PWOZYPOUOPWHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-5-8-15(9-6-11)22(20,21)19-14(4)18-17-13(3)12(2)7-10-16(17)19/h5-10H,1-4H3.
What are the key properties of 2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole?
2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole has a molecular weight of 314.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-1-(4-methylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 174939258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).