5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole

C16H9BrF2N2 — CID 134189260

IUPAC5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole
SMILESFC1(F)c2cc(Br)ccc2-c2ccc(-c3cnc[nH]3)cc21
InChIInChI=1S/C16H9BrF2N2/c17-10-2-4-12-11-3-1-9(15-7-20-8-21-15)5-13(11)16(18,19)14(12)6-10/h1-8H,(H,20,21)
InChIKeyJKNDGTAIHRNFPS-UHFFFAOYSA-N
MW347.16 g/mol
LogP4.96
Rot. Bonds1

About 5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole

5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole (PubChem CID 134189260) has the molecular formula C16H9BrF2N2 and a molecular weight of 347.16 g/mol. Its IUPAC name is 5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole
PubChem CID134189260
Molecular FormulaC16H9BrF2N2
Molecular Weight347.16 g/mol
Exact Mass345.99
IUPAC Name5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole
SMILESFC1(F)c2cc(Br)ccc2-c2ccc(-c3cnc[nH]3)cc21
InChIInChI=1S/C16H9BrF2N2/c17-10-2-4-12-11-3-1-9(15-7-20-8-21-15)5-13(11)16(18,19)14(12)6-10/h1-8H,(H,20,21)
InChIKeyJKNDGTAIHRNFPS-UHFFFAOYSA-N
XLogP4.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
CID 123850292
5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 91157040
N-[4-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-6-methylheptyl]formamide
CID 155053412
6-(1H-imidazol-5-yl)-3,3-dimethylindole
CID 174955710
tert-butyl (2S)-2-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]azocane-1-carboxylate
CID 162592787
4-[9,9-difluoro-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134271868
5-bromo-4-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole
CID 129022824
5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 106517913
3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline
CID 6482257
3-(1H-imidazol-5-yl)pyridine;hydrochloride
CID 67500499
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
[(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid
CID 177375813

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole?
The IUPAC name of 5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole (CID 134189260) is 5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole?
The canonical SMILES for 5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole is FC1(F)c2cc(Br)ccc2-c2ccc(-c3cnc[nH]3)cc21.
What is the InChIKey of 5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole?
The InChIKey is JKNDGTAIHRNFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N2/c17-10-2-4-12-11-3-1-9(15-7-20-8-21-15)5-13(11)16(18,19)14(12)6-10/h1-8H,(H,20,21).
What are the key properties of 5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole?
5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole has a molecular weight of 347.16 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazole is sourced from PubChem (CID 134189260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).