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

C13H13BrF2N2 — CID 142754813

IUPAC(6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
SMILESCC1=C2C[C@H](c3c(F)ccc(Br)c3F)CN2CN1
InChIInChI=1S/C13H13BrF2N2/c1-7-11-4-8(5-18(11)6-17-7)12-10(15)3-2-9(14)13(12)16/h2-3,8,17H,4-6H2,1H3/t8-/m0/s1
InChIKeyWRYCZBQQOHYZCX-QMMMGPOBSA-N
MW315.16 g/mol
LogP3.31
Rot. Bonds1

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

(6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole (PubChem CID 142754813) has the molecular formula C13H13BrF2N2 and a molecular weight of 315.16 g/mol. Its IUPAC name is (6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
PubChem CID142754813
Molecular FormulaC13H13BrF2N2
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name(6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
SMILESCC1=C2C[C@H](c3c(F)ccc(Br)c3F)CN2CN1
InChIInChI=1S/C13H13BrF2N2/c1-7-11-4-8(5-18(11)6-17-7)12-10(15)3-2-9(14)13(12)16/h2-3,8,17H,4-6H2,1H3/t8-/m0/s1
InChIKeyWRYCZBQQOHYZCX-QMMMGPOBSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.31
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-chloro-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
CID 142754812
(6R)-6-(3-bromo-2,6-difluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
CID 142755151
(6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
CID 154698875
4-(3-bromo-2,6-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 138680510
2-(3-bromo-2,6-difluorophenyl)azetidine
CID 130061365
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
(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
4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one
CID 83261660
1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine
CID 106943885
(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184446

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The IUPAC name of (6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole (CID 142754813) is (6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for (6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for (6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole is CC1=C2C[C@H](c3c(F)ccc(Br)c3F)CN2CN1.
What is the InChIKey of (6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The InChIKey is WRYCZBQQOHYZCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13BrF2N2/c1-7-11-4-8(5-18(11)6-17-7)12-10(15)3-2-9(14)13(12)16/h2-3,8,17H,4-6H2,1H3/t8-/m0/s1.
What are the key properties of (6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
(6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole has a molecular weight of 315.16 g/mol, XLogP of 3.31, 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)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 142754813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).