N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide

C12H13BrN4O3 — CID 43710344

IUPACN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1cc2[nH]c(=O)[nH]c2cc1Br)C1CC(O)CN1
InChIInChI=1S/C12H13BrN4O3/c13-6-2-8-9(17-12(20)16-8)3-7(6)15-11(19)10-1-5(18)4-14-10/h2-3,5,10,14,18H,1,4H2,(H,15,19)(H2,16,17,20)
InChIKeyGLFOYDYBLOBZLU-UHFFFAOYSA-N
MW341.17 g/mol
LogP0.28
Rot. Bonds2

About N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide

N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43710344) has the molecular formula C12H13BrN4O3 and a molecular weight of 341.17 g/mol. Its IUPAC name is N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43710344
Molecular FormulaC12H13BrN4O3
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC NameN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1cc2[nH]c(=O)[nH]c2cc1Br)C1CC(O)CN1
InChIInChI=1S/C12H13BrN4O3/c13-6-2-8-9(17-12(20)16-8)3-7(6)15-11(19)10-1-5(18)4-14-10/h2-3,5,10,14,18H,1,4H2,(H,15,19)(H2,16,17,20)
InChIKeyGLFOYDYBLOBZLU-UHFFFAOYSA-N
XLogP0.28
TPSA110.01 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 50.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide (CID 43710344) is N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1cc2[nH]c(=O)[nH]c2cc1Br)C1CC(O)CN1.
What is the InChIKey of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is GLFOYDYBLOBZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3/c13-6-2-8-9(17-12(20)16-8)3-7(6)15-11(19)10-1-5(18)4-14-10/h2-3,5,10,14,18H,1,4H2,(H,15,19)(H2,16,17,20).
What are the key properties of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 341.17 g/mol, XLogP of 0.28, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43710344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).