1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol

C16H25N3O3S — CID 71920348

IUPAC1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc2ccccc2n1CCCS(=O)(=O)C(C)C
InChIInChI=1S/C16H25N3O3S/c1-12(2)23(21,22)10-6-9-19-15-8-5-4-7-14(15)18-16(19)17-11-13(3)20/h4-5,7-8,12-13,20H,6,9-11H2,1-3H3,(H,17,18)
InChIKeyXUBMGDRTKWCCOZ-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.04
Rot. Bonds8

About 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol

1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol (PubChem CID 71920348) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol
PubChem CID71920348
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc2ccccc2n1CCCS(=O)(=O)C(C)C
InChIInChI=1S/C16H25N3O3S/c1-12(2)23(21,22)10-6-9-19-15-8-5-4-7-14(15)18-16(19)17-11-13(3)20/h4-5,7-8,12-13,20H,6,9-11H2,1-3H3,(H,17,18)
InChIKeyXUBMGDRTKWCCOZ-UHFFFAOYSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7024444
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 5187497
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol
CID 75478647
methyl 5-[[2-(2-hydroxypropylamino)benzimidazol-1-yl]methyl]thiophene-2-carboxylate
CID 71854201
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone
CID 4781683
1-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol
CID 71968759
N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42904076
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 98595972

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol (CID 71920348) is 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol is CC(O)CNc1nc2ccccc2n1CCCS(=O)(=O)C(C)C.
What is the InChIKey of 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol?
The InChIKey is XUBMGDRTKWCCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(2)23(21,22)10-6-9-19-15-8-5-4-7-14(15)18-16(19)17-11-13(3)20/h4-5,7-8,12-13,20H,6,9-11H2,1-3H3,(H,17,18).
What are the key properties of 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol?
1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol has a molecular weight of 339.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol is sourced from PubChem (CID 71920348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).