2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole

C16H16N2O2S — CID 173238831

IUPAC2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole
SMILESCCc1nc2cc(S(C)(=O)=O)ccc2n1-c1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-3-16-17-14-11-13(21(2,19)20)9-10-15(14)18(16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyUIEKVGHNZPIYIG-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.99
Rot. Bonds3

About 2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole

2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole (PubChem CID 173238831) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole
PubChem CID173238831
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole
SMILESCCc1nc2cc(S(C)(=O)=O)ccc2n1-c1ccccc1
InChIInChI=1S/C16H16N2O2S/c1-3-16-17-14-11-13(21(2,19)20)9-10-15(14)18(16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyUIEKVGHNZPIYIG-UHFFFAOYSA-N
XLogP2.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole?
The IUPAC name of 2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole (CID 173238831) is 2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole.
What is the SMILES notation for 2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole?
The canonical SMILES for 2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole is CCc1nc2cc(S(C)(=O)=O)ccc2n1-c1ccccc1.
What is the InChIKey of 2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole?
The InChIKey is UIEKVGHNZPIYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-16-17-14-11-13(21(2,19)20)9-10-15(14)18(16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole?
2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole has a molecular weight of 300.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole is sourced from PubChem (CID 173238831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).