1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one

C14H19N3O3S — CID 751863

IUPAC1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C14H19N3O3S/c1-15-12-7-6-11(10-13(12)16(2)14(15)18)21(19,20)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyPFERMMSMESLEOP-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.05
Rot. Bonds2

About 1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one

1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one (PubChem CID 751863) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one
PubChem CID751863
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C14H19N3O3S/c1-15-12-7-6-11(10-13(12)16(2)14(15)18)21(19,20)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyPFERMMSMESLEOP-UHFFFAOYSA-N
XLogP1.05
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one (CID 751863) is 1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one?
The InChIKey is PFERMMSMESLEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-15-12-7-6-11(10-13(12)16(2)14(15)18)21(19,20)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one?
1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one has a molecular weight of 309.39 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one is sourced from PubChem (CID 751863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).