5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

C13H13FN4S — CID 103592941

IUPAC5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2CCc1nccs1
InChIInChI=1S/C13H13FN4S/c1-8-6-11-10(7-9(8)14)17-13(15)18(11)4-2-12-16-3-5-19-12/h3,5-7H,2,4H2,1H3,(H2,15,17)
InChIKeyRFVGLNNFYZFYSN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.77
Rot. Bonds3

About 5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 103592941) has the molecular formula C13H13FN4S and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
PubChem CID103592941
Molecular FormulaC13H13FN4S
Molecular Weight276.34 g/mol
Exact Mass276.08
IUPAC Name5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2CCc1nccs1
InChIInChI=1S/C13H13FN4S/c1-8-6-11-10(7-9(8)14)17-13(15)18(11)4-2-12-16-3-5-19-12/h3,5-7H,2,4H2,1H3,(H2,15,17)
InChIKeyRFVGLNNFYZFYSN-UHFFFAOYSA-N
XLogP2.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088253
5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 63240191
4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 115508865
5-fluoro-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106419721
6-fluoro-5-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]-1H-benzimidazole-2-thione
CID 103592296
5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 103592946
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593147
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
2-[2-[6-bromo-2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 116739068

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (CID 103592941) is 5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2CCc1nccs1.
What is the InChIKey of 5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is RFVGLNNFYZFYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4S/c1-8-6-11-10(7-9(8)14)17-13(15)18(11)4-2-12-16-3-5-19-12/h3,5-7H,2,4H2,1H3,(H2,15,17).
What are the key properties of 5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 103592941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).