1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one

C14H18N4O — CID 119410362

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
SMILESN[C@@H]1CCN(C(=O)CCn2cnc3ccccc32)C1
InChIInChI=1S/C14H18N4O/c15-11-5-7-17(9-11)14(19)6-8-18-10-16-12-3-1-2-4-13(12)18/h1-4,10-11H,5-9,15H2/t11-/m1/s1
InChIKeyJSGLRHCDHHTHPP-LLVKDONJSA-N
MW258.32 g/mol
LogP0.99
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one (PubChem CID 119410362) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
PubChem CID119410362
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
SMILESN[C@@H]1CCN(C(=O)CCn2cnc3ccccc32)C1
InChIInChI=1S/C14H18N4O/c15-11-5-7-17(9-11)14(19)6-8-18-10-16-12-3-1-2-4-13(12)18/h1-4,10-11H,5-9,15H2/t11-/m1/s1
InChIKeyJSGLRHCDHHTHPP-LLVKDONJSA-N
XLogP0.99
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
1-[3-(benzimidazol-1-yl)propanoyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 110107405
3-(benzimidazol-1-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622650
3-(benzimidazol-1-yl)-1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95893607
3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
CID 42291468
1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117922
1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 18928760
6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115127
3-(benzimidazol-1-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 132764398
3-(benzimidazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 56868754
3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 45227213

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one (CID 119410362) is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one is N[C@@H]1CCN(C(=O)CCn2cnc3ccccc32)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one?
The InChIKey is JSGLRHCDHHTHPP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O/c15-11-5-7-17(9-11)14(19)6-8-18-10-16-12-3-1-2-4-13(12)18/h1-4,10-11H,5-9,15H2/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one has a molecular weight of 258.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one is sourced from PubChem (CID 119410362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).