4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one

C11H10BrFN4O — CID 114155594

IUPAC4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one
SMILESNc1nc2cc(Br)c(F)cc2n1C1CNC(=O)C1
InChIInChI=1S/C11H10BrFN4O/c12-6-2-8-9(3-7(6)13)17(11(14)16-8)5-1-10(18)15-4-5/h2-3,5H,1,4H2,(H2,14,16)(H,15,18)
InChIKeyHWIKOFMCOUEBCJ-UHFFFAOYSA-N
MW313.13 g/mol
LogP1.58
Rot. Bonds1

About 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one

4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one (PubChem CID 114155594) has the molecular formula C11H10BrFN4O and a molecular weight of 313.13 g/mol. Its IUPAC name is 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one
PubChem CID114155594
Molecular FormulaC11H10BrFN4O
Molecular Weight313.13 g/mol
Exact Mass312.00
IUPAC Name4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one
SMILESNc1nc2cc(Br)c(F)cc2n1C1CNC(=O)C1
InChIInChI=1S/C11H10BrFN4O/c12-6-2-8-9(3-7(6)13)17(11(14)16-8)5-1-10(18)15-4-5/h2-3,5H,1,4H2,(H2,14,16)(H,15,18)
InChIKeyHWIKOFMCOUEBCJ-UHFFFAOYSA-N
XLogP1.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one
CID 106186768
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine
CID 107853135
5-bromo-6-fluoro-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
CID 66086694
5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one
CID 65345156
5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine
CID 66087861
6-bromo-1-(1,1-dioxothiolan-3-yl)-5-fluorobenzimidazol-2-amine
CID 116738011
5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66085937
5-bromo-6-fluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720509
5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66088621
4-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one
CID 106186692
1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine
CID 66088063

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one (CID 114155594) is 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one is Nc1nc2cc(Br)c(F)cc2n1C1CNC(=O)C1.
What is the InChIKey of 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one?
The InChIKey is HWIKOFMCOUEBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O/c12-6-2-8-9(3-7(6)13)17(11(14)16-8)5-1-10(18)15-4-5/h2-3,5H,1,4H2,(H2,14,16)(H,15,18).
What are the key properties of 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one?
4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one has a molecular weight of 313.13 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 114155594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).