5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole

C14H9Br2FN2 — CID 107983011

IUPAC5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
SMILESCc1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1Br
InChIInChI=1S/C14H9Br2FN2/c1-7-3-2-4-8(13(7)16)14-18-11-5-9(15)10(17)6-12(11)19-14/h2-6H,1H3,(H,18,19)
InChIKeyVOVOUMMTJUDPTB-UHFFFAOYSA-N
MW384.05 g/mol
LogP5.20
Rot. Bonds1

About 5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole

5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole (PubChem CID 107983011) has the molecular formula C14H9Br2FN2 and a molecular weight of 384.05 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
PubChem CID107983011
Molecular FormulaC14H9Br2FN2
Molecular Weight384.05 g/mol
Exact Mass381.91
IUPAC Name5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
SMILESCc1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1Br
InChIInChI=1S/C14H9Br2FN2/c1-7-3-2-4-8(13(7)16)14-18-11-5-9(15)10(17)6-12(11)19-14/h2-6H,1H3,(H,18,19)
InChIKeyVOVOUMMTJUDPTB-UHFFFAOYSA-N
XLogP5.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.05
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 79630922
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-3-methylaniline
CID 79631596
5-bromo-6-fluoro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 79631520
5-bromo-6-fluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 79631045
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134
5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole
CID 104671016
2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
CID 107983005
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 107519609
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine
CID 79630920

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole (CID 107983011) is 5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole is Cc1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is VOVOUMMTJUDPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FN2/c1-7-3-2-4-8(13(7)16)14-18-11-5-9(15)10(17)6-12(11)19-14/h2-6H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 384.05 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 107983011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).