6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole

C14H10BrFN2O — CID 102883699

IUPAC6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(F)c1
InChIInChI=1S/C14H10BrFN2O/c1-19-9-3-4-10(11(16)7-9)14-17-12-5-2-8(15)6-13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyRFHDGXTZRCWILD-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.14
Rot. Bonds2

About 6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole

6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole (PubChem CID 102883699) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
PubChem CID102883699
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(F)c1
InChIInChI=1S/C14H10BrFN2O/c1-19-9-3-4-10(11(16)7-9)14-17-12-5-2-8(15)6-13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyRFHDGXTZRCWILD-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

6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
CID 62866966
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017648
4-(6-bromo-1H-benzimidazol-2-yl)-3-methoxyaniline
CID 107209077
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
2-(5-bromo-2-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83950843

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole (CID 102883699) is 6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole is COc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(F)c1.
What is the InChIKey of 6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
The InChIKey is RFHDGXTZRCWILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-19-9-3-4-10(11(16)7-9)14-17-12-5-2-8(15)6-13(12)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole?
6-bromo-2-(2-fluoro-4-methoxyphenyl)-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 6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 102883699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).