1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole

C17H12BrF3N2 — CID 82561944

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole
SMILESFc1ccc(Cc2nccn2Cc2ccc(F)c(Br)c2)c(F)c1
InChIInChI=1S/C17H12BrF3N2/c18-14-7-11(1-4-15(14)20)10-23-6-5-22-17(23)8-12-2-3-13(19)9-16(12)21/h1-7,9H,8,10H2
InChIKeyYGEWHULRPDHTAS-UHFFFAOYSA-N
MW381.20 g/mol
LogP4.70
Rot. Bonds4

About 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole

1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole (PubChem CID 82561944) has the molecular formula C17H12BrF3N2 and a molecular weight of 381.20 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole
PubChem CID82561944
Molecular FormulaC17H12BrF3N2
Molecular Weight381.20 g/mol
Exact Mass380.01
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole
SMILESFc1ccc(Cc2nccn2Cc2ccc(F)c(Br)c2)c(F)c1
InChIInChI=1S/C17H12BrF3N2/c18-14-7-11(1-4-15(14)20)10-23-6-5-22-17(23)8-12-2-3-13(19)9-16(12)21/h1-7,9H,8,10H2
InChIKeyYGEWHULRPDHTAS-UHFFFAOYSA-N
XLogP4.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
CID 82561916
2-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558825
1-[(3-bromo-4-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)imidazole
CID 82561760
N-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222547
methyl 4-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82561071
5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
CID 82561956
2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
CID 82561855
2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
CID 82562006
2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide
CID 82558374
3-[[2-[(2,3,4-trifluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558402
[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
CID 103038769
1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole
CID 82562137

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole (CID 82561944) is 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole is Fc1ccc(Cc2nccn2Cc2ccc(F)c(Br)c2)c(F)c1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole?
The InChIKey is YGEWHULRPDHTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF3N2/c18-14-7-11(1-4-15(14)20)10-23-6-5-22-17(23)8-12-2-3-13(19)9-16(12)21/h1-7,9H,8,10H2.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole?
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole has a molecular weight of 381.20 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole is sourced from PubChem (CID 82561944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).