1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole

C17H18N2O2S — CID 2193507

IUPAC1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole
SMILESCC(C)Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2S/c1-13(2)11-14-7-9-15(10-8-14)22(20,21)19-12-18-16-5-3-4-6-17(16)19/h3-10,12-13H,11H2,1-2H3
InChIKeyAMZVKBFXYVXJBL-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.47
Rot. Bonds4

About 1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole

1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole (PubChem CID 2193507) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole
PubChem CID2193507
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole
SMILESCC(C)Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2S/c1-13(2)11-14-7-9-15(10-8-14)22(20,21)19-12-18-16-5-3-4-6-17(16)19/h3-10,12-13H,11H2,1-2H3
InChIKeyAMZVKBFXYVXJBL-UHFFFAOYSA-N
XLogP3.47
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
CID 1088438
Enviroxime
CID 5748733
Enviradene
CID 6435398
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 755364
Zinviroxime
CID 5361910
N-(1-benzyl-1H-benzo[d]imidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 44567335
4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine
CID 446805
1-(Mesitylsulfonyl)-1H-benzimidazole
CID 576712
1-(Toluene-4-sulfonyl)-1H-benzoimidazole
CID 746711
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
1-methanesulfonyl-1H-1,3-benzodiazole
CID 262499
3-(1-Methylbenzimidazol-2-yl)sulfanyl-1-benzothiophene 1,1-dioxide
CID 647114

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole (CID 2193507) is 1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole is CC(C)Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole?
The InChIKey is AMZVKBFXYVXJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-13(2)11-14-7-9-15(10-8-14)22(20,21)19-12-18-16-5-3-4-6-17(16)19/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole?
1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole has a molecular weight of 314.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]sulfonylbenzimidazole is sourced from PubChem (CID 2193507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).