2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

C13H14N4O2 — CID 11959733

IUPAC2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESC[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCC(=O)N1
InChIInChI=1S/C13H14N4O2/c1-13(6-5-9(18)17-13)12-15-8-4-2-3-7(11(14)19)10(8)16-12/h2-4H,5-6H2,1H3,(H2,14,19)(H,15,16)(H,17,18)/t13-/m1/s1
InChIKeyNAVOZIXRUWOAFW-CYBMUJFWSA-N
MW258.28 g/mol
LogP0.79
Rot. Bonds2

About 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 11959733) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID11959733
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESC[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCC(=O)N1
InChIInChI=1S/C13H14N4O2/c1-13(6-5-9(18)17-13)12-15-8-4-2-3-7(11(14)19)10(8)16-12/h2-4H,5-6H2,1H3,(H2,14,19)(H,15,16)(H,17,18)/t13-/m1/s1
InChIKeyNAVOZIXRUWOAFW-CYBMUJFWSA-N
XLogP0.79
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 11959733) is 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCC(=O)N1.
What is the InChIKey of 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is NAVOZIXRUWOAFW-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-13(6-5-9(18)17-13)12-15-8-4-2-3-7(11(14)19)10(8)16-12/h2-4H,5-6H2,1H3,(H2,14,19)(H,15,16)(H,17,18)/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11959733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).