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

C16H11BrF2N2 — CID 82562103

IUPAC1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
SMILESFc1ccc(-c2nccn2Cc2ccc(Br)cc2)cc1F
InChIInChI=1S/C16H11BrF2N2/c17-13-4-1-11(2-5-13)10-21-8-7-20-16(21)12-3-6-14(18)15(19)9-12/h1-9H,10H2
InChIKeyQUNZUMVLFFDTDG-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.64
Rot. Bonds3

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

1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole (PubChem CID 82562103) has the molecular formula C16H11BrF2N2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
PubChem CID82562103
Molecular FormulaC16H11BrF2N2
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
SMILESFc1ccc(-c2nccn2Cc2ccc(Br)cc2)cc1F
InChIInChI=1S/C16H11BrF2N2/c17-13-4-1-11(2-5-13)10-21-8-7-20-16(21)12-3-6-14(18)15(19)9-12/h1-9H,10H2
InChIKeyQUNZUMVLFFDTDG-UHFFFAOYSA-N
XLogP4.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
CID 82562071
2-(4-bromophenyl)-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 82562213
1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole
CID 82562137
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
methyl 3-[[2-(3,4-difluorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561233
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 79700240
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559625
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline
CID 82562114
methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate
CID 82561230

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole (CID 82562103) is 1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole is Fc1ccc(-c2nccn2Cc2ccc(Br)cc2)cc1F.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole?
The InChIKey is QUNZUMVLFFDTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2/c17-13-4-1-11(2-5-13)10-21-8-7-20-16(21)12-3-6-14(18)15(19)9-12/h1-9H,10H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole?
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole has a molecular weight of 349.18 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole is sourced from PubChem (CID 82562103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).