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

C15H14BrFN4 — CID 82561916

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
SMILESCn1ccnc1Cc1nccn1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrFN4/c1-20-6-4-18-14(20)9-15-19-5-7-21(15)10-11-2-3-13(17)12(16)8-11/h2-8H,9-10H2,1H3
InChIKeyRZSUWQBETMKFBN-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.16
Rot. Bonds4

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

1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole (PubChem CID 82561916) has the molecular formula C15H14BrFN4 and a molecular weight of 349.21 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
PubChem CID82561916
Molecular FormulaC15H14BrFN4
Molecular Weight349.21 g/mol
Exact Mass348.04
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
SMILESCn1ccnc1Cc1nccn1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrFN4/c1-20-6-4-18-14(20)9-15-19-5-7-21(15)10-11-2-3-13(17)12(16)8-11/h2-8H,9-10H2,1H3
InChIKeyRZSUWQBETMKFBN-UHFFFAOYSA-N
XLogP3.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole
CID 82561944
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
5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
CID 82561956
1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole
CID 82562137
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
CID 82561964
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
CID 103038769
2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
CID 82561855
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol
CID 82560146

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole (CID 82561916) is 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole is Cn1ccnc1Cc1nccn1Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole?
The InChIKey is RZSUWQBETMKFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN4/c1-20-6-4-18-14(20)9-15-19-5-7-21(15)10-11-2-3-13(17)12(16)8-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole?
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole has a molecular weight of 349.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole is sourced from PubChem (CID 82561916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).