6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine

C11H13ClFN3OS — CID 114089476

IUPAC6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine
SMILESCCS(=O)CCn1c(N)nc2cc(F)c(Cl)cc21
InChIInChI=1S/C11H13ClFN3OS/c1-2-18(17)4-3-16-10-5-7(12)8(13)6-9(10)15-11(16)14/h5-6H,2-4H2,1H3,(H2,14,15)
InChIKeyQWOMRIOCCKHQLN-UHFFFAOYSA-N
MW289.76 g/mol
LogP2.18
Rot. Bonds4

About 6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine

6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine (PubChem CID 114089476) has the molecular formula C11H13ClFN3OS and a molecular weight of 289.76 g/mol. Its IUPAC name is 6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine
PubChem CID114089476
Molecular FormulaC11H13ClFN3OS
Molecular Weight289.76 g/mol
Exact Mass289.05
IUPAC Name6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine
SMILESCCS(=O)CCn1c(N)nc2cc(F)c(Cl)cc21
InChIInChI=1S/C11H13ClFN3OS/c1-2-18(17)4-3-16-10-5-7(12)8(13)6-9(10)15-11(16)14/h5-6H,2-4H2,1H3,(H2,14,15)
InChIKeyQWOMRIOCCKHQLN-UHFFFAOYSA-N
XLogP2.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593147
6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
CID 106431752
ethyl 3-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66078519
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
CID 66078295
5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326375
6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406198
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
CID 66078679
5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008434
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine (CID 114089476) is 6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine is CCS(=O)CCn1c(N)nc2cc(F)c(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is QWOMRIOCCKHQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3OS/c1-2-18(17)4-3-16-10-5-7(12)8(13)6-9(10)15-11(16)14/h5-6H,2-4H2,1H3,(H2,14,15).
What are the key properties of 6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine?
6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 289.76 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 114089476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).