1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole

C18H12BrClN2O — CID 10500441

IUPAC1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
SMILESClc1ccccc1C(c1cc2cc(Br)ccc2o1)n1ccnc1
InChIInChI=1S/C18H12BrClN2O/c19-13-5-6-16-12(9-13)10-17(23-16)18(22-8-7-21-11-22)14-3-1-2-4-15(14)20/h1-11,18H
InChIKeySFXSFFNFFGUAIY-UHFFFAOYSA-N
MW387.66 g/mol
LogP5.68
Rot. Bonds3

About 1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole

1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole (PubChem CID 10500441) has the molecular formula C18H12BrClN2O and a molecular weight of 387.66 g/mol. Its IUPAC name is 1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
PubChem CID10500441
Molecular FormulaC18H12BrClN2O
Molecular Weight387.66 g/mol
Exact Mass385.98
IUPAC Name1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
SMILESClc1ccccc1C(c1cc2cc(Br)ccc2o1)n1ccnc1
InChIInChI=1S/C18H12BrClN2O/c19-13-5-6-16-12(9-13)10-17(23-16)18(22-8-7-21-11-22)14-3-1-2-4-15(14)20/h1-11,18H
InChIKeySFXSFFNFFGUAIY-UHFFFAOYSA-N
XLogP5.68
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.66
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole?
The IUPAC name of 1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole (CID 10500441) is 1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole?
The canonical SMILES for 1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole is Clc1ccccc1C(c1cc2cc(Br)ccc2o1)n1ccnc1.
What is the InChIKey of 1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole?
The InChIKey is SFXSFFNFFGUAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN2O/c19-13-5-6-16-12(9-13)10-17(23-16)18(22-8-7-21-11-22)14-3-1-2-4-15(14)20/h1-11,18H.
What are the key properties of 1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole?
1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole has a molecular weight of 387.66 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole is sourced from PubChem (CID 10500441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).