1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole

C10H7BrF2N2 — CID 116620789

IUPAC1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole
SMILESC=C(Br)Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C10H7BrF2N2/c1-6(11)4-15-5-14-9-2-7(12)8(13)3-10(9)15/h2-3,5H,1,4H2
InChIKeyULQCEXMMYCQHDP-UHFFFAOYSA-N
MW273.08 g/mol
LogP3.22
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole

1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole (PubChem CID 116620789) has the molecular formula C10H7BrF2N2 and a molecular weight of 273.08 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole
PubChem CID116620789
Molecular FormulaC10H7BrF2N2
Molecular Weight273.08 g/mol
Exact Mass271.98
IUPAC Name1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole
SMILESC=C(Br)Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C10H7BrF2N2/c1-6(11)4-15-5-14-9-2-7(12)8(13)3-10(9)15/h2-3,5H,1,4H2
InChIKeyULQCEXMMYCQHDP-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole?
The IUPAC name of 1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole (CID 116620789) is 1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole is C=C(Br)Cn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole?
The InChIKey is ULQCEXMMYCQHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2/c1-6(11)4-15-5-14-9-2-7(12)8(13)3-10(9)15/h2-3,5H,1,4H2.
What are the key properties of 1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole?
1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole has a molecular weight of 273.08 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-5,6-difluorobenzimidazole is sourced from PubChem (CID 116620789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).