4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole

C14H10BrFN2O — CID 58065677

IUPAC4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1cc(Br)c2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C14H10BrFN2O/c1-19-10-6-11(15)13-12(7-10)17-14(18-13)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,17,18)
InChIKeyYPQRYMQCAYJTQS-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.14
Rot. Bonds2

About 4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole

4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole (PubChem CID 58065677) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
PubChem CID58065677
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1cc(Br)c2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C14H10BrFN2O/c1-19-10-6-11(15)13-12(7-10)17-14(18-13)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,17,18)
InChIKeyYPQRYMQCAYJTQS-UHFFFAOYSA-N
XLogP4.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole (CID 58065677) is 4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole is COc1cc(Br)c2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole?
The InChIKey is YPQRYMQCAYJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-19-10-6-11(15)13-12(7-10)17-14(18-13)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,17,18).
What are the key properties of 4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole?
4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole has a molecular weight of 321.15 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 58065677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).