1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine

C12H16FN3OS — CID 103593147

IUPAC1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCCS(=O)CCn1c(N)nc2cc(F)c(C)cc21
InChIInChI=1S/C12H16FN3OS/c1-3-18(17)5-4-16-11-6-8(2)9(13)7-10(11)15-12(16)14/h6-7H,3-5H2,1-2H3,(H2,14,15)
InChIKeyLREYSNRDBAKNJO-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.83
Rot. Bonds4

About 1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine

1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 103593147) has the molecular formula C12H16FN3OS and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID103593147
Molecular FormulaC12H16FN3OS
Molecular Weight269.34 g/mol
Exact Mass269.10
IUPAC Name1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCCS(=O)CCn1c(N)nc2cc(F)c(C)cc21
InChIInChI=1S/C12H16FN3OS/c1-3-18(17)5-4-16-11-6-8(2)9(13)7-10(11)15-12(16)14/h6-7H,3-5H2,1-2H3,(H2,14,15)
InChIKeyLREYSNRDBAKNJO-UHFFFAOYSA-N
XLogP1.83
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine
CID 114089476
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
CID 103592868
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 103592941
5-fluoro-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106419721
5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 103593126
2-(chloromethyl)-5-fluoro-6-methyl-1-(2-methylsulfinylethyl)benzimidazole
CID 103593989
3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 103593026

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine (CID 103593147) is 1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine is CCS(=O)CCn1c(N)nc2cc(F)c(C)cc21.
What is the InChIKey of 1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is LREYSNRDBAKNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3OS/c1-3-18(17)5-4-16-11-6-8(2)9(13)7-10(11)15-12(16)14/h6-7H,3-5H2,1-2H3,(H2,14,15).
What are the key properties of 1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine?
1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine has a molecular weight of 269.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103593147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).