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

C21H18BrF2N3 — CID 91157040

IUPAC5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCN1CCCC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1
InChIInChI=1S/C21H18BrF2N3/c1-27-8-2-3-19(27)20-25-11-18(26-20)12-4-6-14-15-7-5-13(22)10-17(15)21(23,24)16(14)9-12/h4-7,9-11,19H,2-3,8H2,1H3,(H,25,26)
InChIKeyXTQDZIJAXPNNIK-UHFFFAOYSA-N
MW430.30 g/mol
LogP5.73
Rot. Bonds2

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

5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole (PubChem CID 91157040) has the molecular formula C21H18BrF2N3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
PubChem CID91157040
Molecular FormulaC21H18BrF2N3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCN1CCCC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1
InChIInChI=1S/C21H18BrF2N3/c1-27-8-2-3-19(27)20-25-11-18(26-20)12-4-6-14-15-7-5-13(22)10-17(15)21(23,24)16(14)9-12/h4-7,9-11,19H,2-3,8H2,1H3,(H,25,26)
InChIKeyXTQDZIJAXPNNIK-UHFFFAOYSA-N
XLogP5.73
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.30
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
tert-butyl (2S)-2-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]azocane-1-carboxylate
CID 162592787
9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine
CID 129126007
5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine
CID 143630216
2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole
CID 144563616
9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine
CID 145305491
5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 129019197
methyl N-[(2R)-1-[(8S)-8-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-2,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 163813029
methyl N-[(2S)-1-[(2S,4S)-2-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 70911871
tert-butyl (2S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 59610569
[(6S)-6-[5-(9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]phosphane
CID 130280422
5-(4-bromo-2-methoxyphenyl)-2-[(2S)-1-chloropyrrolidin-2-yl]-1H-imidazole
CID 130401788

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole (CID 91157040) is 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole is CN1CCCC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1.
What is the InChIKey of 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The InChIKey is XTQDZIJAXPNNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrF2N3/c1-27-8-2-3-19(27)20-25-11-18(26-20)12-4-6-14-15-7-5-13(22)10-17(15)21(23,24)16(14)9-12/h4-7,9-11,19H,2-3,8H2,1H3,(H,25,26).
What are the key properties of 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole has a molecular weight of 430.30 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 91157040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).