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

C14H17N3O2 — CID 62918787

IUPAC3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
SMILESO=C(CCn1cnc2ccccc21)N1CCC(O)C1
InChIInChI=1S/C14H17N3O2/c18-11-5-7-16(9-11)14(19)6-8-17-10-15-12-3-1-2-4-13(12)17/h1-4,10-11,18H,5-9H2
InChIKeyYDXVTPGTUWMQEQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.02
Rot. Bonds3

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

3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one (PubChem CID 62918787) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
PubChem CID62918787
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
SMILESO=C(CCn1cnc2ccccc21)N1CCC(O)C1
InChIInChI=1S/C14H17N3O2/c18-11-5-7-16(9-11)14(19)6-8-17-10-15-12-3-1-2-4-13(12)17/h1-4,10-11,18H,5-9H2
InChIKeyYDXVTPGTUWMQEQ-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326
3-(benzimidazol-1-yl)-1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95893607
3-(benzimidazol-1-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622650
1-[3-(benzimidazol-1-yl)propanoyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 110107405
3-(benzimidazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 56868754
1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117922
3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
CID 42291468
3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 45252749
3-(benzimidazol-1-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 132764398
6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115127
1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 18928760

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one (CID 62918787) is 3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one is O=C(CCn1cnc2ccccc21)N1CCC(O)C1.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The InChIKey is YDXVTPGTUWMQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-11-5-7-16(9-11)14(19)6-8-17-10-15-12-3-1-2-4-13(12)17/h1-4,10-11,18H,5-9H2.
What are the key properties of 3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one has a molecular weight of 259.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 62918787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).