1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine

C15H23N3O2S — CID 105152492

IUPAC1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(Cn1cnc2ccccc21)NC
InChIInChI=1S/C15H23N3O2S/c1-3-21(19,20)10-6-7-13(16-2)11-18-12-17-14-8-4-5-9-15(14)18/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3
InChIKeyHXMYMCIURBKPRB-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.84
Rot. Bonds8

About 1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine

1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine (PubChem CID 105152492) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine
PubChem CID105152492
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(Cn1cnc2ccccc21)NC
InChIInChI=1S/C15H23N3O2S/c1-3-21(19,20)10-6-7-13(16-2)11-18-12-17-14-8-4-5-9-15(14)18/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3
InChIKeyHXMYMCIURBKPRB-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine (CID 105152492) is 1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine is CCS(=O)(=O)CCCC(Cn1cnc2ccccc21)NC.
What is the InChIKey of 1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine?
The InChIKey is HXMYMCIURBKPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-21(19,20)10-6-7-13(16-2)11-18-12-17-14-8-4-5-9-15(14)18/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine?
1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine has a molecular weight of 309.43 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine is sourced from PubChem (CID 105152492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).