2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone

C17H13BrFN3O — CID 146022552

IUPAC2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1F)N1CCn2c1nc1ccccc12
InChIInChI=1S/C17H13BrFN3O/c18-12-5-3-4-11(16(12)19)10-15(23)22-9-8-21-14-7-2-1-6-13(14)20-17(21)22/h1-7H,8-10H2
InChIKeyASURBUWBKPDNRH-UHFFFAOYSA-N
MW374.21 g/mol
LogP3.53
Rot. Bonds2

About 2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone

2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone (PubChem CID 146022552) has the molecular formula C17H13BrFN3O and a molecular weight of 374.21 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
PubChem CID146022552
Molecular FormulaC17H13BrFN3O
Molecular Weight374.21 g/mol
Exact Mass373.02
IUPAC Name2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1F)N1CCn2c1nc1ccccc12
InChIInChI=1S/C17H13BrFN3O/c18-12-5-3-4-11(16(12)19)10-15(23)22-9-8-21-14-7-2-1-6-13(14)20-17(21)22/h1-7H,8-10H2
InChIKeyASURBUWBKPDNRH-UHFFFAOYSA-N
XLogP3.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone (CID 146022552) is 2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone is O=C(Cc1cccc(Br)c1F)N1CCn2c1nc1ccccc12.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone?
The InChIKey is ASURBUWBKPDNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O/c18-12-5-3-4-11(16(12)19)10-15(23)22-9-8-21-14-7-2-1-6-13(14)20-17(21)22/h1-7H,8-10H2.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone?
2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone has a molecular weight of 374.21 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone is sourced from PubChem (CID 146022552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).