2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

C15H19N3O2 — CID 102737800

IUPAC2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC1CCN(C(=O)Cn2cnc3ccccc32)C1CO
InChIInChI=1S/C15H19N3O2/c1-11-6-7-18(14(11)9-19)15(20)8-17-10-16-12-4-2-3-5-13(12)17/h2-5,10-11,14,19H,6-9H2,1H3
InChIKeyYTYJMKTVVRTJMH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.27
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (PubChem CID 102737800) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
PubChem CID102737800
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC1CCN(C(=O)Cn2cnc3ccccc32)C1CO
InChIInChI=1S/C15H19N3O2/c1-11-6-7-18(14(11)9-19)15(20)8-17-10-16-12-4-2-3-5-13(12)17/h2-5,10-11,14,19H,6-9H2,1H3
InChIKeyYTYJMKTVVRTJMH-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2436915
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 5031162
2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558579
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 102738312
2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164964
2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 4171967
2-(benzimidazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153
2-(benzimidazol-1-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125014811
2-(benzimidazol-1-yl)-1-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 129352397
2-(benzimidazol-1-yl)-1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 129352398
2-benzylsulfanyl-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102738454
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2476351

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone (CID 102737800) is 2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is CC1CCN(C(=O)Cn2cnc3ccccc32)C1CO.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
The InChIKey is YTYJMKTVVRTJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-6-7-18(14(11)9-19)15(20)8-17-10-16-12-4-2-3-5-13(12)17/h2-5,10-11,14,19H,6-9H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone has a molecular weight of 273.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102737800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).