5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole

C18H12BrFN2S — CID 166450109

IUPAC5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESFc1ccc(Cn2c(-c3cccs3)nc3cc(Br)ccc32)cc1
InChIInChI=1S/C18H12BrFN2S/c19-13-5-8-16-15(10-13)21-18(17-2-1-9-23-17)22(16)11-12-3-6-14(20)7-4-12/h1-10H,11H2
InChIKeyLZMGUSABRDEFJD-UHFFFAOYSA-N
MW387.28 g/mol
LogP5.71
Rot. Bonds3

About 5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole

5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole (PubChem CID 166450109) has the molecular formula C18H12BrFN2S and a molecular weight of 387.28 g/mol. Its IUPAC name is 5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
PubChem CID166450109
Molecular FormulaC18H12BrFN2S
Molecular Weight387.28 g/mol
Exact Mass385.99
IUPAC Name5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESFc1ccc(Cn2c(-c3cccs3)nc3cc(Br)ccc32)cc1
InChIInChI=1S/C18H12BrFN2S/c19-13-5-8-16-15(10-13)21-18(17-2-1-9-23-17)22(16)11-12-3-6-14(20)7-4-12/h1-10H,11H2
InChIKeyLZMGUSABRDEFJD-UHFFFAOYSA-N
XLogP5.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.28
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole (CID 166450109) is 5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole is Fc1ccc(Cn2c(-c3cccs3)nc3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The InChIKey is LZMGUSABRDEFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN2S/c19-13-5-8-16-15(10-13)21-18(17-2-1-9-23-17)22(16)11-12-3-6-14(20)7-4-12/h1-10H,11H2.
What are the key properties of 5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole?
5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole has a molecular weight of 387.28 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-fluorophenyl)methyl]-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 166450109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).