2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide

C13H16N4O2 — CID 119453931

IUPAC2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)NC1CCNC1
InChIInChI=1S/C13H16N4O2/c18-12(15-9-5-6-14-7-9)8-17-11-4-2-1-3-10(11)16-13(17)19/h1-4,9,14H,5-8H2,(H,15,18)(H,16,19)
InChIKeyIHTVJZUDNCSPMQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.19
Rot. Bonds3

About 2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide

2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide (PubChem CID 119453931) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide
PubChem CID119453931
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)NC1CCNC1
InChIInChI=1S/C13H16N4O2/c18-12(15-9-5-6-14-7-9)8-17-11-4-2-1-3-10(11)16-13(17)19/h1-4,9,14H,5-8H2,(H,15,18)(H,16,19)
InChIKeyIHTVJZUDNCSPMQ-UHFFFAOYSA-N
XLogP-0.19
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 120553598
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 138004226
N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 154801893
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
2-(9-oxoacridin-10-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387578
3-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
CID 15585637
3-[2-(cyclopropylamino)-2-oxoethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783974
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide
CID 120599144
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451933
2-methyl-2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545536

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide (CID 119453931) is 2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide is O=C(Cn1c(=O)[nH]c2ccccc21)NC1CCNC1.
What is the InChIKey of 2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is IHTVJZUDNCSPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-12(15-9-5-6-14-7-9)8-17-11-4-2-1-3-10(11)16-13(17)19/h1-4,9,14H,5-8H2,(H,15,18)(H,16,19).
What are the key properties of 2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide?
2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 260.30 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119453931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).