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

C17H14BrFN2O — CID 82562089

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
SMILESCOc1cccc(-c2nccn2Cc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C17H14BrFN2O/c1-22-14-4-2-3-13(10-14)17-20-7-8-21(17)11-12-5-6-16(19)15(18)9-12/h2-10H,11H2,1H3
InChIKeyDLPJWXMDJNXQLG-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.51
Rot. Bonds4

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

1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole (PubChem CID 82562089) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
PubChem CID82562089
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
SMILESCOc1cccc(-c2nccn2Cc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C17H14BrFN2O/c1-22-14-4-2-3-13(10-14)17-20-7-8-21(17)11-12-5-6-16(19)15(18)9-12/h2-10H,11H2,1H3
InChIKeyDLPJWXMDJNXQLG-UHFFFAOYSA-N
XLogP4.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole
CID 82562137
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559570
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
1-bromo-2-(3-methoxyphenyl)imidazole
CID 175313145
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569
methyl 3-[[2-(3,4-difluorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561233
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
CID 82561916
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
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole (CID 82562089) is 1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole is COc1cccc(-c2nccn2Cc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole?
The InChIKey is DLPJWXMDJNXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c1-22-14-4-2-3-13(10-14)17-20-7-8-21(17)11-12-5-6-16(19)15(18)9-12/h2-10H,11H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole?
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole has a molecular weight of 361.21 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole is sourced from PubChem (CID 82562089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).