5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid

C12H14BrN3O3 — CID 55068839

IUPAC5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
SMILESNC(CCCC(=O)O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H14BrN3O3/c13-7-5-10-9(15-12(19)16-10)4-6(7)8(14)2-1-3-11(17)18/h4-5,8H,1-3,14H2,(H,17,18)(H2,15,16,19)
InChIKeyVROKOZPBRURQCX-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.87
Rot. Bonds5

About 5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid

5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid (PubChem CID 55068839) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is 5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
PubChem CID55068839
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
SMILESNC(CCCC(=O)O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H14BrN3O3/c13-7-5-10-9(15-12(19)16-10)4-6(7)8(14)2-1-3-11(17)18/h4-5,8H,1-3,14H2,(H,17,18)(H2,15,16,19)
InChIKeyVROKOZPBRURQCX-UHFFFAOYSA-N
XLogP1.87
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
The IUPAC name of 5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid (CID 55068839) is 5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
The canonical SMILES for 5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid is NC(CCCC(=O)O)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
The InChIKey is VROKOZPBRURQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c13-7-5-10-9(15-12(19)16-10)4-6(7)8(14)2-1-3-11(17)18/h4-5,8H,1-3,14H2,(H,17,18)(H2,15,16,19).
What are the key properties of 5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid has a molecular weight of 328.17 g/mol, XLogP of 1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid is sourced from PubChem (CID 55068839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).