[1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide

C16H22N4O4S — CID 118783915

IUPAC[1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C(=O)CCn2c(CO)nc3ccccc32)C1
InChIInChI=1S/C16H22N4O4S/c17-25(23,24)11-12-5-7-19(9-12)16(22)6-8-20-14-4-2-1-3-13(14)18-15(20)10-21/h1-4,12,21H,5-11H2,(H2,17,23,24)
InChIKeyNNXUIOJOKYWQOT-UHFFFAOYSA-N
MW366.44 g/mol
LogP0.06
Rot. Bonds6

About [1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide

[1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 118783915) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is [1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID118783915
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name[1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C(=O)CCn2c(CO)nc3ccccc32)C1
InChIInChI=1S/C16H22N4O4S/c17-25(23,24)11-12-5-7-19(9-12)16(22)6-8-20-14-4-2-1-3-13(14)18-15(20)10-21/h1-4,12,21H,5-11H2,(H2,17,23,24)
InChIKeyNNXUIOJOKYWQOT-UHFFFAOYSA-N
XLogP0.06
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-[4-(3-hydroxyphenyl)piperidin-1-yl]propan-1-one
CID 74237269
[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 126451013
3-(2-ethylbenzimidazol-1-yl)-1-[(3S)-3-phenoxypyrrolidin-1-yl]propan-1-one
CID 126442985
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-1-one
CID 74234254
tert-butyl (3S)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97171142
[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 124847487
[1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119071782
1-[(3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylpiperidin-1-yl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-1-one
CID 58078604
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326
N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969925
[(3S)-1-[4-(4-fluorophenyl)-4-oxobutanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 125163683
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362

Frequently Asked Questions

What is the IUPAC name of [1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide (CID 118783915) is [1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CCN(C(=O)CCn2c(CO)nc3ccccc32)C1.
What is the InChIKey of [1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is NNXUIOJOKYWQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c17-25(23,24)11-12-5-7-19(9-12)16(22)6-8-20-14-4-2-1-3-13(14)18-15(20)10-21/h1-4,12,21H,5-11H2,(H2,17,23,24).
What are the key properties of [1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide?
[1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 118783915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).