1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole

C20H20BrFN2 — CID 82562137

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole
SMILESCC(C)(C)c1ccc(-c2nccn2Cc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C20H20BrFN2/c1-20(2,3)16-7-5-15(6-8-16)19-23-10-11-24(19)13-14-4-9-18(22)17(21)12-14/h4-12H,13H2,1-3H3
InChIKeyAEWIVLQEZISJRN-UHFFFAOYSA-N
MW387.30 g/mol
LogP5.80
Rot. Bonds3

About 1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole

1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole (PubChem CID 82562137) has the molecular formula C20H20BrFN2 and a molecular weight of 387.30 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole
PubChem CID82562137
Molecular FormulaC20H20BrFN2
Molecular Weight387.30 g/mol
Exact Mass386.08
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole
SMILESCC(C)(C)c1ccc(-c2nccn2Cc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C20H20BrFN2/c1-20(2,3)16-7-5-15(6-8-16)19-23-10-11-24(19)13-14-4-9-18(22)17(21)12-14/h4-12H,13H2,1-3H3
InChIKeyAEWIVLQEZISJRN-UHFFFAOYSA-N
XLogP5.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.30
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
N-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222547
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
1-[(3-bromo-4-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)imidazole
CID 82561760
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
CID 82561916
3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 82560734
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 79700240
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline
CID 82562114
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole
CID 82561944
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
2-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558825
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole (CID 82562137) is 1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole is CC(C)(C)c1ccc(-c2nccn2Cc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole?
The InChIKey is AEWIVLQEZISJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN2/c1-20(2,3)16-7-5-15(6-8-16)19-23-10-11-24(19)13-14-4-9-18(22)17(21)12-14/h4-12H,13H2,1-3H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole?
1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole has a molecular weight of 387.30 g/mol, XLogP of 5.80, 3 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-(4-tert-butylphenyl)imidazole is sourced from PubChem (CID 82562137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).