1-(4-propylphenyl)sulfonylbenzimidazole

C16H16N2O2S — CID 22200833

IUPAC1-(4-propylphenyl)sulfonylbenzimidazole
SMILESCCCc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C16H16N2O2S/c1-2-5-13-8-10-14(11-9-13)21(19,20)18-12-17-15-6-3-4-7-16(15)18/h3-4,6-12H,2,5H2,1H3
InChIKeyCPQKGCCDQPEWHE-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-propylphenyl)sulfonylbenzimidazole

1-(4-propylphenyl)sulfonylbenzimidazole (PubChem CID 22200833) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(4-propylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(4-propylphenyl)sulfonylbenzimidazole
PubChem CID22200833
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-(4-propylphenyl)sulfonylbenzimidazole
SMILESCCCc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C16H16N2O2S/c1-2-5-13-8-10-14(11-9-13)21(19,20)18-12-17-15-6-3-4-7-16(15)18/h3-4,6-12H,2,5H2,1H3
InChIKeyCPQKGCCDQPEWHE-UHFFFAOYSA-N
XLogP3.23
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(4-propylphenyl)sulfonylbenzimidazole (CID 22200833) is 1-(4-propylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(4-propylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(4-propylphenyl)sulfonylbenzimidazole is CCCc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1.
What is the InChIKey of 1-(4-propylphenyl)sulfonylbenzimidazole?
The InChIKey is CPQKGCCDQPEWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-5-13-8-10-14(11-9-13)21(19,20)18-12-17-15-6-3-4-7-16(15)18/h3-4,6-12H,2,5H2,1H3.
What are the key properties of 1-(4-propylphenyl)sulfonylbenzimidazole?
1-(4-propylphenyl)sulfonylbenzimidazole has a molecular weight of 300.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 22200833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).