1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one

C17H24N4O2 — CID 119410437

IUPAC1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CCC(=O)N2CC[C@@H](N)C2)c2ccccc21
InChIInChI=1S/C17H24N4O2/c1-2-9-20-14-5-3-4-6-15(14)21(17(20)23)11-8-16(22)19-10-7-13(18)12-19/h3-6,13H,2,7-12,18H2,1H3/t13-/m1/s1
InChIKeyBLBKSAUTTRRCPE-CYBMUJFWSA-N
MW316.41 g/mol
LogP1.16
Rot. Bonds5

About 1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one

1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one (PubChem CID 119410437) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
PubChem CID119410437
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CCC(=O)N2CC[C@@H](N)C2)c2ccccc21
InChIInChI=1S/C17H24N4O2/c1-2-9-20-14-5-3-4-6-15(14)21(17(20)23)11-8-16(22)19-10-7-13(18)12-19/h3-6,13H,2,7-12,18H2,1H3/t13-/m1/s1
InChIKeyBLBKSAUTTRRCPE-CYBMUJFWSA-N
XLogP1.16
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119560953
1-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one;hydrochloride
CID 119543880
(3R,4R)-4-cyclopropyl-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120979025
4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119251628
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 56819857
1-methyl-3-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]benzimidazol-2-one;hydrochloride
CID 120995124
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693456
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55950899

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one?
The IUPAC name of 1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one (CID 119410437) is 1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one.
What is the SMILES notation for 1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one?
The canonical SMILES for 1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one is CCCn1c(=O)n(CCC(=O)N2CC[C@@H](N)C2)c2ccccc21.
What is the InChIKey of 1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one?
The InChIKey is BLBKSAUTTRRCPE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-9-20-14-5-3-4-6-15(14)21(17(20)23)11-8-16(22)19-10-7-13(18)12-19/h3-6,13H,2,7-12,18H2,1H3/t13-/m1/s1.
What are the key properties of 1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one?
1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one is sourced from PubChem (CID 119410437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).