2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

C15H20N2O2S — CID 658092

IUPAC2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCC(C)(C)S(=O)(=O)c1ccc2nc3c(n2c1)CCCC3
InChIInChI=1S/C15H20N2O2S/c1-15(2,3)20(18,19)11-8-9-14-16-12-6-4-5-7-13(12)17(14)10-11/h8-10H,4-7H2,1-3H3
InChIKeyNWWYAULMPSIJDD-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.79
Rot. Bonds1

About 2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 658092) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID658092
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCC(C)(C)S(=O)(=O)c1ccc2nc3c(n2c1)CCCC3
InChIInChI=1S/C15H20N2O2S/c1-15(2,3)20(18,19)11-8-9-14-16-12-6-4-5-7-13(12)17(14)10-11/h8-10H,4-7H2,1-3H3
InChIKeyNWWYAULMPSIJDD-UHFFFAOYSA-N
XLogP2.79
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 658092) is 2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is CC(C)(C)S(=O)(=O)c1ccc2nc3c(n2c1)CCCC3.
What is the InChIKey of 2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is NWWYAULMPSIJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(2,3)20(18,19)11-8-9-14-16-12-6-4-5-7-13(12)17(14)10-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 292.40 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 658092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).