2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole

C14H10BrFN2S — CID 11573605

IUPAC2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
SMILESFc1ccc(Br)c(CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H10BrFN2S/c15-11-6-5-10(16)7-9(11)8-19-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8H2,(H,17,18)
InChIKeyNNEBNUQNNWIPED-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.76
Rot. Bonds3

About 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole

2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 11573605) has the molecular formula C14H10BrFN2S and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID11573605
Molecular FormulaC14H10BrFN2S
Molecular Weight337.22 g/mol
Exact Mass335.97
IUPAC Name2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
SMILESFc1ccc(Br)c(CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H10BrFN2S/c15-11-6-5-10(16)7-9(11)8-19-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8H2,(H,17,18)
InChIKeyNNEBNUQNNWIPED-UHFFFAOYSA-N
XLogP4.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 7756067
2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide
CID 45135788
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 40739070
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline
CID 139812499
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-fluorophenyl)ethanamine
CID 107524587
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943
3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile
CID 75397691
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole (CID 11573605) is 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole is Fc1ccc(Br)c(CSc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is NNEBNUQNNWIPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2S/c15-11-6-5-10(16)7-9(11)8-19-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole?
2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 337.22 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 11573605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).