2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole

C14H10BrFN2O — CID 65017648

IUPAC2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc(Br)c(F)c3)[nH]c2c1
InChIInChI=1S/C14H10BrFN2O/c1-19-9-3-5-12-13(7-9)18-14(17-12)8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H,17,18)
InChIKeyHBOOALMQCJFSBG-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.14
Rot. Bonds2

About 2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole

2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole (PubChem CID 65017648) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
PubChem CID65017648
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc(Br)c(F)c3)[nH]c2c1
InChIInChI=1S/C14H10BrFN2O/c1-19-9-3-5-12-13(7-9)18-14(17-12)8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H,17,18)
InChIKeyHBOOALMQCJFSBG-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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Related Compounds

5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
CID 79630480
5-bromo-6-fluoro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 79631520
6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 102883699
3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 118624494
4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 58065677
6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
CID 114821621
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole (CID 65017648) is 2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole is COc1ccc2nc(-c3ccc(Br)c(F)c3)[nH]c2c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole?
The InChIKey is HBOOALMQCJFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-19-9-3-5-12-13(7-9)18-14(17-12)8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole?
2-(4-bromo-3-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 2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 65017648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).