2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one

C14H17N3O2 — CID 62918614

IUPAC2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(O)C1)n1cnc2ccccc21
InChIInChI=1S/C14H17N3O2/c1-10(14(19)16-7-6-11(18)8-16)17-9-15-12-4-2-3-5-13(12)17/h2-5,9-11,18H,6-8H2,1H3
InChIKeyDOLLPTBJCGXDFB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.19
Rot. Bonds2

About 2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one

2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one (PubChem CID 62918614) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
PubChem CID62918614
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(O)C1)n1cnc2ccccc21
InChIInChI=1S/C14H17N3O2/c1-10(14(19)16-7-6-11(18)8-16)17-9-15-12-4-2-3-5-13(12)17/h2-5,9-11,18H,6-8H2,1H3
InChIKeyDOLLPTBJCGXDFB-UHFFFAOYSA-N
XLogP1.19
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
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(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
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tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
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3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
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(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 129427686
1-[2-(benzimidazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 62046817
(2S)-2-(benzimidazol-1-yl)-1-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]propan-1-one
CID 125436777

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one (CID 62918614) is 2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one is CC(C(=O)N1CCC(O)C1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The InChIKey is DOLLPTBJCGXDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(14(19)16-7-6-11(18)8-16)17-9-15-12-4-2-3-5-13(12)17/h2-5,9-11,18H,6-8H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one has a molecular weight of 259.31 g/mol, XLogP of 1.19, 2 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-(3-hydroxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 62918614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).