6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole

C14H9BrClFN2 — CID 104574371

IUPAC6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(-c3cc(Cl)ccc3F)nc12
InChIInChI=1S/C14H9BrClFN2/c1-7-4-8(15)5-12-13(7)19-14(18-12)10-6-9(16)2-3-11(10)17/h2-6H,1H3,(H,18,19)
InChIKeyUYYAMDABBJDHFN-UHFFFAOYSA-N
MW339.60 g/mol
LogP5.09
Rot. Bonds1

About 6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole

6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole (PubChem CID 104574371) has the molecular formula C14H9BrClFN2 and a molecular weight of 339.60 g/mol. Its IUPAC name is 6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole
PubChem CID104574371
Molecular FormulaC14H9BrClFN2
Molecular Weight339.60 g/mol
Exact Mass337.96
IUPAC Name6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(-c3cc(Cl)ccc3F)nc12
InChIInChI=1S/C14H9BrClFN2/c1-7-4-8(15)5-12-13(7)19-14(18-12)10-6-9(16)2-3-11(10)17/h2-6H,1H3,(H,18,19)
InChIKeyUYYAMDABBJDHFN-UHFFFAOYSA-N
XLogP5.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.60
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 104574515
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548
6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
CID 136727863
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185573
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole (CID 104574371) is 6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(-c3cc(Cl)ccc3F)nc12.
What is the InChIKey of 6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole?
The InChIKey is UYYAMDABBJDHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2/c1-7-4-8(15)5-12-13(7)19-14(18-12)10-6-9(16)2-3-11(10)17/h2-6H,1H3,(H,18,19).
What are the key properties of 6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole?
6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole has a molecular weight of 339.60 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 104574371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).