1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole

C16H12BrFN2 — CID 82562071

IUPAC1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
SMILESFc1ccccc1-c1nccn1Cc1ccc(Br)cc1
InChIInChI=1S/C16H12BrFN2/c17-13-7-5-12(6-8-13)11-20-10-9-19-16(20)14-3-1-2-4-15(14)18/h1-10H,11H2
InChIKeySMOKHNKOOPNIEF-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.50
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole

1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole (PubChem CID 82562071) has the molecular formula C16H12BrFN2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
PubChem CID82562071
Molecular FormulaC16H12BrFN2
Molecular Weight331.19 g/mol
Exact Mass330.02
IUPAC Name1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
SMILESFc1ccccc1-c1nccn1Cc1ccc(Br)cc1
InChIInChI=1S/C16H12BrFN2/c17-13-7-5-12(6-8-13)11-20-10-9-19-16(20)14-3-1-2-4-15(14)18/h1-10H,11H2
InChIKeySMOKHNKOOPNIEF-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560528
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559058
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559863
4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
CID 82560831
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
1-[(4-bromophenyl)methyl]-4-fluoroindole
CID 82793563
2-(4-bromophenyl)-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 82562213
2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
CID 82561910
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
2,4,6-tris(1-benzylimidazol-2-yl)phenol
CID 136721299

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole (CID 82562071) is 1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole is Fc1ccccc1-c1nccn1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole?
The InChIKey is SMOKHNKOOPNIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2/c17-13-7-5-12(6-8-13)11-20-10-9-19-16(20)14-3-1-2-4-15(14)18/h1-10H,11H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole?
1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole has a molecular weight of 331.19 g/mol, XLogP of 4.50, 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-(2-fluorophenyl)imidazole is sourced from PubChem (CID 82562071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).