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

C17H12BrF3N2 — CID 82561855

IUPAC2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
SMILESFc1ccc(Cn2ccnc2Cc2ccc(Br)cc2)c(F)c1F
InChIInChI=1S/C17H12BrF3N2/c18-13-4-1-11(2-5-13)9-15-22-7-8-23(15)10-12-3-6-14(19)17(21)16(12)20/h1-8H,9-10H2
InChIKeyFVOZCWCWULYNGQ-UHFFFAOYSA-N
MW381.20 g/mol
LogP4.70
Rot. Bonds4

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

2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole (PubChem CID 82561855) has the molecular formula C17H12BrF3N2 and a molecular weight of 381.20 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
PubChem CID82561855
Molecular FormulaC17H12BrF3N2
Molecular Weight381.20 g/mol
Exact Mass380.01
IUPAC Name2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
SMILESFc1ccc(Cn2ccnc2Cc2ccc(Br)cc2)c(F)c1F
InChIInChI=1S/C17H12BrF3N2/c18-13-4-1-11(2-5-13)9-15-22-7-8-23(15)10-12-3-6-14(19)17(21)16(12)20/h1-8H,9-10H2
InChIKeyFVOZCWCWULYNGQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[(2,3,4-trifluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558402
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole
CID 82561944
2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole
CID 82561825
1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole
CID 62222379
2-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558825
2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
CID 82562006
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
CID 82561916
2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
CID 82561910
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 62408867

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole (CID 82561855) is 2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole is Fc1ccc(Cn2ccnc2Cc2ccc(Br)cc2)c(F)c1F.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole?
The InChIKey is FVOZCWCWULYNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF3N2/c18-13-4-1-11(2-5-13)9-15-22-7-8-23(15)10-12-3-6-14(19)17(21)16(12)20/h1-8H,9-10H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole?
2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)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 2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole is sourced from PubChem (CID 82561855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).