N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide

C14H16N4O3 — CID 70941559

IUPACN-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)NC(=O)C1CCCN1
InChIInChI=1S/C14H16N4O3/c19-12(17-13(20)10-5-3-7-15-10)8-18-11-6-2-1-4-9(11)16-14(18)21/h1-2,4,6,10,15H,3,5,7-8H2,(H,16,21)(H,17,19,20)
InChIKeyJRSGJTAKUZKWJB-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.28
Rot. Bonds3

About N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide

N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 70941559) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID70941559
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)NC(=O)C1CCCN1
InChIInChI=1S/C14H16N4O3/c19-12(17-13(20)10-5-3-7-15-10)8-18-11-6-2-1-4-9(11)16-14(18)21/h1-2,4,6,10,15H,3,5,7-8H2,(H,16,21)(H,17,19,20)
InChIKeyJRSGJTAKUZKWJB-UHFFFAOYSA-N
XLogP-0.28
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119453931
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
N-(3-methylpiperidin-4-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 120553598
3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 127494531
N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 138004226
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
CID 119194768
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
N-[(2-fluorophenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195175
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide (CID 70941559) is N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide is O=C(Cn1c(=O)[nH]c2ccccc21)NC(=O)C1CCCN1.
What is the InChIKey of N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is JRSGJTAKUZKWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-12(17-13(20)10-5-3-7-15-10)8-18-11-6-2-1-4-9(11)16-14(18)21/h1-2,4,6,10,15H,3,5,7-8H2,(H,16,21)(H,17,19,20).
What are the key properties of N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70941559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).