1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole

C16H12BrClN2 — CID 163216979

IUPAC1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole
SMILESClc1ccc(-c2cn(Cc3ccccc3)c(Br)n2)cc1
InChIInChI=1S/C16H12BrClN2/c17-16-19-15(13-6-8-14(18)9-7-13)11-20(16)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyFTSAPINLILTWME-UHFFFAOYSA-N
MW347.64 g/mol
LogP5.01
Rot. Bonds3

About 1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole

1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole (PubChem CID 163216979) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole.

Molecular Properties

Compound Name1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole
PubChem CID163216979
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC Name1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole
SMILESClc1ccc(-c2cn(Cc3ccccc3)c(Br)n2)cc1
InChIInChI=1S/C16H12BrClN2/c17-16-19-15(13-6-8-14(18)9-7-13)11-20(16)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyFTSAPINLILTWME-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.64
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole?
The IUPAC name of 1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole (CID 163216979) is 1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole.
What is the SMILES notation for 1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole?
The canonical SMILES for 1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole is Clc1ccc(-c2cn(Cc3ccccc3)c(Br)n2)cc1.
What is the InChIKey of 1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole?
The InChIKey is FTSAPINLILTWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2/c17-16-19-15(13-6-8-14(18)9-7-13)11-20(16)10-12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of 1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole?
1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole has a molecular weight of 347.64 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole is sourced from PubChem (CID 163216979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).