5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine

C13H16ClFN4S — CID 106326375

IUPAC5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CCN1CCSCC1
InChIInChI=1S/C13H16ClFN4S/c14-9-7-11-12(8-10(9)15)19(13(16)17-11)2-1-18-3-5-20-6-4-18/h7-8H,1-6H2,(H2,16,17)
InChIKeyGTVGKHBUWPSLNK-UHFFFAOYSA-N
MW314.82 g/mol
LogP2.46
Rot. Bonds3

About 5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine

5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine (PubChem CID 106326375) has the molecular formula C13H16ClFN4S and a molecular weight of 314.82 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
PubChem CID106326375
Molecular FormulaC13H16ClFN4S
Molecular Weight314.82 g/mol
Exact Mass314.08
IUPAC Name5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CCN1CCSCC1
InChIInChI=1S/C13H16ClFN4S/c14-9-7-11-12(8-10(9)15)19(13(16)17-11)2-1-18-3-5-20-6-4-18/h7-8H,1-6H2,(H2,16,17)
InChIKeyGTVGKHBUWPSLNK-UHFFFAOYSA-N
XLogP2.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326521
5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326321
6-fluoro-5-iodo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 66100782
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119
4-[2-[2-(chloromethyl)-6-fluoro-5-iodobenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326595
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-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 66078129
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 116738236
5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine
CID 66076958
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine (CID 106326375) is 5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1CCN1CCSCC1.
What is the InChIKey of 5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
The InChIKey is GTVGKHBUWPSLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN4S/c14-9-7-11-12(8-10(9)15)19(13(16)17-11)2-1-18-3-5-20-6-4-18/h7-8H,1-6H2,(H2,16,17).
What are the key properties of 5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine has a molecular weight of 314.82 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 106326375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).