2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole

C17H13BrClFN2 — CID 82562006

IUPAC2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
SMILESFc1ccc(Cn2ccnc2Cc2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C17H13BrClFN2/c18-14-7-13(8-15(19)10-14)9-17-21-5-6-22(17)11-12-1-3-16(20)4-2-12/h1-8,10H,9,11H2
InChIKeyHNACUPDFBWWYCL-UHFFFAOYSA-N
MW379.66 g/mol
LogP5.08
Rot. Bonds4

About 2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole

2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole (PubChem CID 82562006) has the molecular formula C17H13BrClFN2 and a molecular weight of 379.66 g/mol. Its IUPAC name is 2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
PubChem CID82562006
Molecular FormulaC17H13BrClFN2
Molecular Weight379.66 g/mol
Exact Mass377.99
IUPAC Name2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
SMILESFc1ccc(Cn2ccnc2Cc2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C17H13BrClFN2/c18-14-7-13(8-15(19)10-14)9-17-21-5-6-22(17)11-12-1-3-16(20)4-2-12/h1-8,10H,9,11H2
InChIKeyHNACUPDFBWWYCL-UHFFFAOYSA-N
XLogP5.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.66
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558525
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole
CID 82561944
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole?
The IUPAC name of 2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole (CID 82562006) is 2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole.
What is the SMILES notation for 2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole?
The canonical SMILES for 2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole is Fc1ccc(Cn2ccnc2Cc2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of 2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole?
The InChIKey is HNACUPDFBWWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClFN2/c18-14-7-13(8-15(19)10-14)9-17-21-5-6-22(17)11-12-1-3-16(20)4-2-12/h1-8,10H,9,11H2.
What are the key properties of 2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole?
2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole has a molecular weight of 379.66 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole is sourced from PubChem (CID 82562006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).