1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine

C14H21N3O2S — CID 105112839

IUPAC1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine
SMILESCNC(CCCS(C)(=O)=O)Cn1cnc2ccccc21
InChIInChI=1S/C14H21N3O2S/c1-15-12(6-5-9-20(2,18)19)10-17-11-16-13-7-3-4-8-14(13)17/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3
InChIKeyZHSNXXFNYOOOJQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.45
Rot. Bonds7

About 1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine

1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine (PubChem CID 105112839) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine
PubChem CID105112839
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine
SMILESCNC(CCCS(C)(=O)=O)Cn1cnc2ccccc21
InChIInChI=1S/C14H21N3O2S/c1-15-12(6-5-9-20(2,18)19)10-17-11-16-13-7-3-4-8-14(13)17/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3
InChIKeyZHSNXXFNYOOOJQ-UHFFFAOYSA-N
XLogP1.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.45
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)-N-methyl-5-methylsulfonylpentan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine (CID 105112839) is 1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine is CNC(CCCS(C)(=O)=O)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine?
The InChIKey is ZHSNXXFNYOOOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-15-12(6-5-9-20(2,18)19)10-17-11-16-13-7-3-4-8-14(13)17/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine?
1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine has a molecular weight of 295.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 105112839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).