2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole

C14H18F3N3O2S — CID 10593920

IUPAC2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
SMILESO=S(=O)(CC1(C(F)(F)F)Nc2ccccc2N1)N1CCCCC1
InChIInChI=1S/C14H18F3N3O2S/c15-14(16,17)13(18-11-6-2-3-7-12(11)19-13)10-23(21,22)20-8-4-1-5-9-20/h2-3,6-7,18-19H,1,4-5,8-10H2
InChIKeyCCELFJUVEZFYDU-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.60
Rot. Bonds3

About 2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole

2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole (PubChem CID 10593920) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole.

Molecular Properties

Compound Name2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
PubChem CID10593920
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC Name2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
SMILESO=S(=O)(CC1(C(F)(F)F)Nc2ccccc2N1)N1CCCCC1
InChIInChI=1S/C14H18F3N3O2S/c15-14(16,17)13(18-11-6-2-3-7-12(11)19-13)10-23(21,22)20-8-4-1-5-9-20/h2-3,6-7,18-19H,1,4-5,8-10H2
InChIKeyCCELFJUVEZFYDU-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
The IUPAC name of 2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole (CID 10593920) is 2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole.
What is the SMILES notation for 2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
The canonical SMILES for 2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole is O=S(=O)(CC1(C(F)(F)F)Nc2ccccc2N1)N1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
The InChIKey is CCELFJUVEZFYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2S/c15-14(16,17)13(18-11-6-2-3-7-12(11)19-13)10-23(21,22)20-8-4-1-5-9-20/h2-3,6-7,18-19H,1,4-5,8-10H2.
What are the key properties of 2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole?
2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole has a molecular weight of 349.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylsulfonylmethyl)-2-(trifluoromethyl)-1,3-dihydrobenzimidazole is sourced from PubChem (CID 10593920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).