(6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole

C12H11BrF2N2 — CID 142755151

IUPAC(6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
SMILESFc1ccc(Br)c(F)c1[C@H]1CC2=CNCN2C1
InChIInChI=1S/C12H11BrF2N2/c13-9-1-2-10(14)11(12(9)15)7-3-8-4-16-6-17(8)5-7/h1-2,4,7,16H,3,5-6H2/t7-/m0/s1
InChIKeyGAUCIRAWAWTGLS-ZETCQYMHSA-N
MW301.13 g/mol
LogP2.92
Rot. Bonds1

About (6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole

(6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole (PubChem CID 142755151) has the molecular formula C12H11BrF2N2 and a molecular weight of 301.13 g/mol. Its IUPAC name is (6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
PubChem CID142755151
Molecular FormulaC12H11BrF2N2
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name(6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
SMILESFc1ccc(Br)c(F)c1[C@H]1CC2=CNCN2C1
InChIInChI=1S/C12H11BrF2N2/c13-9-1-2-10(14)11(12(9)15)7-3-8-4-16-6-17(8)5-7/h1-2,4,7,16H,3,5-6H2/t7-/m0/s1
InChIKeyGAUCIRAWAWTGLS-ZETCQYMHSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
CID 142754813
4-(3-bromo-2,6-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 138680510
2-(3-bromo-2,6-difluorophenyl)azetidine
CID 130061365
(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine
CID 131548332
2-[6-(3-bromo-2,6-difluorophenyl)-3-sulfanylidene-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 138682649
5-(3-bromo-2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117491075
2-[(6S)-6-(3-bromo-2,6-difluorophenyl)-3-sulfanylidene-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-1-yl]-1-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 139294546
(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184446
2-[(6S)-6-(3-bromo-2,6-difluorophenyl)-3-sulfanylidene-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-1-yl]-N-(2-oxocyclopentyl)acetamide
CID 139294164
2-(3-bromo-2,6-difluorophenyl)cycloheptane-1-carboxylic acid
CID 106943848
2-[6-(3-bromo-2,6-difluorophenyl)-3-sulfanylidene-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 138680496
2-[(6S)-6-(3-bromo-2,6-difluorophenyl)-2-methyl-3-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-[(3S)-oxolan-3-yl]acetamide
CID 139293550

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The IUPAC name of (6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole (CID 142755151) is (6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for (6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for (6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole is Fc1ccc(Br)c(F)c1[C@H]1CC2=CNCN2C1.
What is the InChIKey of (6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The InChIKey is GAUCIRAWAWTGLS-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H11BrF2N2/c13-9-1-2-10(14)11(12(9)15)7-3-8-4-16-6-17(8)5-7/h1-2,4,7,16H,3,5-6H2/t7-/m0/s1.
What are the key properties of (6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
(6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole has a molecular weight of 301.13 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 142755151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).