5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

C12H11FN4S — CID 63240191

IUPAC5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1CCc1nccs1
InChIInChI=1S/C12H11FN4S/c13-8-1-2-10-9(7-8)16-12(14)17(10)5-3-11-15-4-6-18-11/h1-2,4,6-7H,3,5H2,(H2,14,16)
InChIKeyQCZBSQVWYISQJK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.46
Rot. Bonds3

About 5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 63240191) has the molecular formula C12H11FN4S and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
PubChem CID63240191
Molecular FormulaC12H11FN4S
Molecular Weight262.31 g/mol
Exact Mass262.07
IUPAC Name5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1CCc1nccs1
InChIInChI=1S/C12H11FN4S/c13-8-1-2-10-9(7-8)16-12(14)17(10)5-3-11-15-4-6-18-11/h1-2,4,6-7H,3,5H2,(H2,14,16)
InChIKeyQCZBSQVWYISQJK-UHFFFAOYSA-N
XLogP2.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 103592941
5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088253
4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 115508865
1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 63239906
5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine
CID 54964595
5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
CID 54951192
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43661501
1-(2-cyclopentylethyl)-5-fluorobenzimidazol-2-amine
CID 54932894
5-fluoro-1-(3-methylsulfanylbutyl)benzimidazol-2-amine
CID 113494111
1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
CID 43662075
2-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63240277

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (CID 63240191) is 5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is Nc1nc2cc(F)ccc2n1CCc1nccs1.
What is the InChIKey of 5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is QCZBSQVWYISQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4S/c13-8-1-2-10-9(7-8)16-12(14)17(10)5-3-11-15-4-6-18-11/h1-2,4,6-7H,3,5H2,(H2,14,16).
What are the key properties of 5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 262.31 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-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 63240191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).