1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole

C13H13BrF2N2 — CID 106269522

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole
SMILESCCCc1nccn1Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C13H13BrF2N2/c1-2-3-12-17-6-7-18(12)8-9-11(15)5-4-10(14)13(9)16/h4-7H,2-3,8H2,1H3
InChIKeyQWVOUHYQAZXLSL-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.92
Rot. Bonds4

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole

1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole (PubChem CID 106269522) has the molecular formula C13H13BrF2N2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole
PubChem CID106269522
Molecular FormulaC13H13BrF2N2
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole
SMILESCCCc1nccn1Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C13H13BrF2N2/c1-2-3-12-17-6-7-18(12)8-9-11(15)5-4-10(14)13(9)16/h4-7H,2-3,8H2,1H3
InChIKeyQWVOUHYQAZXLSL-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-3-chloropyrazin-2-one
CID 114166476
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 106263450
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102772183
N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772185
1-bromo-2,4-difluoro-3-[(4-propylphenoxy)methyl]benzene
CID 106269980
3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine
CID 115769653
1-[1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrol-2-yl]ethanol
CID 106264984
3-[(3-bromo-2,6-difluorophenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 106269515
1-(2,4-difluorophenyl)-2-(2-propylimidazol-1-yl)ethanamine
CID 107522682
1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole
CID 118870063
N-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222547

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole (CID 106269522) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole is CCCc1nccn1Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole?
The InChIKey is QWVOUHYQAZXLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N2/c1-2-3-12-17-6-7-18(12)8-9-11(15)5-4-10(14)13(9)16/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole?
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole has a molecular weight of 315.16 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole is sourced from PubChem (CID 106269522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).