5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole

C15H10BrFN2O — CID 79598177

IUPAC5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccc4c(c3)COC4)nc2cc1Br
InChIInChI=1S/C15H10BrFN2O/c16-11-4-13-14(5-12(11)17)19-15(18-13)8-1-2-9-6-20-7-10(9)3-8/h1-5H,6-7H2,(H,18,19)
InChIKeyHGJYURUOWRWMPR-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.16
Rot. Bonds1

About 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole

5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole (PubChem CID 79598177) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole
PubChem CID79598177
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccc4c(c3)COC4)nc2cc1Br
InChIInChI=1S/C15H10BrFN2O/c16-11-4-13-14(5-12(11)17)19-15(18-13)8-1-2-9-6-20-7-10(9)3-8/h1-5H,6-7H2,(H,18,19)
InChIKeyHGJYURUOWRWMPR-UHFFFAOYSA-N
XLogP4.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole (CID 79598177) is 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole is Fc1cc2[nH]c(-c3ccc4c(c3)COC4)nc2cc1Br.
What is the InChIKey of 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole?
The InChIKey is HGJYURUOWRWMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-11-4-13-14(5-12(11)17)19-15(18-13)8-1-2-9-6-20-7-10(9)3-8/h1-5H,6-7H2,(H,18,19).
What are the key properties of 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole has a molecular weight of 333.16 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 79598177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).