3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide

C17H24N4O4S — CID 74234579

IUPAC3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
SMILESO=C(CCn1c(CO)nc2ccccc21)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C17H24N4O4S/c22-13-16-19-14-5-1-2-6-15(14)21(16)11-7-17(23)18-8-12-26(24,25)20-9-3-4-10-20/h1-2,5-6,22H,3-4,7-13H2,(H,18,23)
InChIKeyWYLIVPJIJAPQGF-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.46
Rot. Bonds8

About 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide

3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide (PubChem CID 74234579) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
PubChem CID74234579
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
SMILESO=C(CCn1c(CO)nc2ccccc21)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C17H24N4O4S/c22-13-16-19-14-5-1-2-6-15(14)21(16)11-7-17(23)18-8-12-26(24,25)20-9-3-4-10-20/h1-2,5-6,22H,3-4,7-13H2,(H,18,23)
InChIKeyWYLIVPJIJAPQGF-UHFFFAOYSA-N
XLogP0.46
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
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3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
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N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide (CID 74234579) is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The canonical SMILES for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide is O=C(CCn1c(CO)nc2ccccc21)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The InChIKey is WYLIVPJIJAPQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c22-13-16-19-14-5-1-2-6-15(14)21(16)11-7-17(23)18-8-12-26(24,25)20-9-3-4-10-20/h1-2,5-6,22H,3-4,7-13H2,(H,18,23).
What are the key properties of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide has a molecular weight of 380.47 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide is sourced from PubChem (CID 74234579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).