3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide

C15H21N3O2S — CID 103681678

IUPAC3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)(O)CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C15H21N3O2S/c1-15(20,10-21-2)9-16-14(19)7-8-18-11-17-12-5-3-4-6-13(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19)
InChIKeyATCBNCVXLBXTKM-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.66
Rot. Bonds7

About 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide

3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide (PubChem CID 103681678) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
PubChem CID103681678
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)(O)CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C15H21N3O2S/c1-15(20,10-21-2)9-16-14(19)7-8-18-11-17-12-5-3-4-6-13(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19)
InChIKeyATCBNCVXLBXTKM-UHFFFAOYSA-N
XLogP1.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(benzimidazol-1-yl)-N-benzylpropanamide
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3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanoic acid
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CID 120827403
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297
2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
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2-[3-(benzimidazol-1-yl)propanoylamino]-2-methylbutanoic acid
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3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide
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N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide (CID 103681678) is 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide is CSCC(C)(O)CNC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The InChIKey is ATCBNCVXLBXTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(20,10-21-2)9-16-14(19)7-8-18-11-17-12-5-3-4-6-13(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide has a molecular weight of 307.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 103681678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).