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

C10H10BrFN2OS — CID 66088395

IUPAC6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione
SMILESCOCCn1c(=S)[nH]c2cc(Br)c(F)cc21
InChIInChI=1S/C10H10BrFN2OS/c1-15-3-2-14-9-5-7(12)6(11)4-8(9)13-10(14)16/h4-5H,2-3H2,1H3,(H,13,16)
InChIKeyOBBQEDPZHZCMOR-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.25
Rot. Bonds3

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

6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione (PubChem CID 66088395) has the molecular formula C10H10BrFN2OS and a molecular weight of 305.17 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione
PubChem CID66088395
Molecular FormulaC10H10BrFN2OS
Molecular Weight305.17 g/mol
Exact Mass303.97
IUPAC Name6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione
SMILESCOCCn1c(=S)[nH]c2cc(Br)c(F)cc21
InChIInChI=1S/C10H10BrFN2OS/c1-15-3-2-14-9-5-7(12)6(11)4-8(9)13-10(14)16/h4-5H,2-3H2,1H3,(H,13,16)
InChIKeyOBBQEDPZHZCMOR-UHFFFAOYSA-N
XLogP3.25
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-fluoro-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-benzimidazole-2-thione
CID 116737698
6-bromo-3-[2-(diethylamino)ethyl]-5-fluoro-1H-benzimidazole-2-thione
CID 66088590
6-bromo-5-fluoro-3-(7-methyloctyl)-1H-benzimidazole-2-thione
CID 107816859
5-fluoro-6-iodo-3-[2-(2-methoxyethoxy)ethyl]-1H-benzimidazole-2-thione
CID 66099774
6-bromo-5-fluoro-3-(3-methylbut-2-enyl)-1H-benzimidazole-2-thione
CID 106184945
6-bromo-5-fluoro-3-[2-(2-methylphenyl)ethyl]-1H-benzimidazole-2-thione
CID 79754728
6-bromo-5-fluoro-3-(1-methoxybutan-2-yl)-1H-benzimidazole-2-thione
CID 66086483
6-bromo-3-(cyclopropylmethyl)-5-fluoro-1H-benzimidazole-2-thione
CID 66088393
6-bromo-3-[2-(dimethylamino)propyl]-5-fluoro-1H-benzimidazole-2-thione
CID 66088990
6-bromo-5-fluoro-3-(2-prop-2-enylsulfanylethyl)-1H-benzimidazole-2-thione
CID 114188050
4,5-difluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione
CID 62532191
6-bromo-5-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione
CID 66087630

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione (CID 66088395) is 6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione is COCCn1c(=S)[nH]c2cc(Br)c(F)cc21.
What is the InChIKey of 6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
The InChIKey is OBBQEDPZHZCMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2OS/c1-15-3-2-14-9-5-7(12)6(11)4-8(9)13-10(14)16/h4-5H,2-3H2,1H3,(H,13,16).
What are the key properties of 6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione?
6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione has a molecular weight of 305.17 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 66088395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).