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

C12H12N4O2 — CID 25190739

IUPAC2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c([C@@H]3CCC(=O)N3)nc12
InChIInChI=1S/C12H12N4O2/c13-11(18)6-2-1-3-7-10(6)16-12(15-7)8-4-5-9(17)14-8/h1-3,8H,4-5H2,(H2,13,18)(H,14,17)(H,15,16)/t8-/m0/s1
InChIKeyIOHRTULIGFHGAL-QMMMGPOBSA-N
MW244.25 g/mol
LogP0.61
Rot. Bonds2

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

2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 25190739) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID25190739
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c([C@@H]3CCC(=O)N3)nc12
InChIInChI=1S/C12H12N4O2/c13-11(18)6-2-1-3-7-10(6)16-12(15-7)8-4-5-9(17)14-8/h1-3,8H,4-5H2,(H2,13,18)(H,14,17)(H,15,16)/t8-/m0/s1
InChIKeyIOHRTULIGFHGAL-QMMMGPOBSA-N
XLogP0.61
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 25190739) is 2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c([C@@H]3CCC(=O)N3)nc12.
What is the InChIKey of 2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is IOHRTULIGFHGAL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-11(18)6-2-1-3-7-10(6)16-12(15-7)8-4-5-9(17)14-8/h1-3,8H,4-5H2,(H2,13,18)(H,14,17)(H,15,16)/t8-/m0/s1.
What are the key properties of 2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5-oxopyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).