3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one

C13H16N4O2 — CID 119413160

IUPAC3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
SMILESN[C@@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C13H16N4O2/c14-9-5-6-16(7-9)12(18)8-17-11-4-2-1-3-10(11)15-13(17)19/h1-4,9H,5-8,14H2,(H,15,19)/t9-/m1/s1
InChIKeyJWCWTGKFSFVKRQ-SECBINFHSA-N
MW260.30 g/mol
LogP-0.11
Rot. Bonds2

About 3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one

3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one (PubChem CID 119413160) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
PubChem CID119413160
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
SMILESN[C@@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C13H16N4O2/c14-9-5-6-16(7-9)12(18)8-17-11-4-2-1-3-10(11)15-13(17)19/h1-4,9H,5-8,14H2,(H,15,19)/t9-/m1/s1
InChIKeyJWCWTGKFSFVKRQ-SECBINFHSA-N
XLogP-0.11
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 136521556
3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 127494531
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
5-methyl-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118829
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481
4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251084
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119469480
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 113195210
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
3-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 72838610
1-(2-fluorophenyl)-N-[(4R,6R)-6-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]azepan-4-yl]cyclobutane-1-carboxamide
CID 167978968

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one (CID 119413160) is 3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one is N[C@@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1.
What is the InChIKey of 3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
The InChIKey is JWCWTGKFSFVKRQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-9-5-6-16(7-9)12(18)8-17-11-4-2-1-3-10(11)15-13(17)19/h1-4,9H,5-8,14H2,(H,15,19)/t9-/m1/s1.
What are the key properties of 3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one has a molecular weight of 260.30 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 119413160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).