5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine

C13H12FN3S — CID 63615475

IUPAC5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine
SMILESCCc1cc(-c2nc3ccc(F)cc3[nH]2)c(N)s1
InChIInChI=1S/C13H12FN3S/c1-2-8-6-9(12(15)18-8)13-16-10-4-3-7(14)5-11(10)17-13/h3-6H,2,15H2,1H3,(H,16,17)
InChIKeyYNQLIWVYANZKIG-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.58
Rot. Bonds2

About 5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine

5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine (PubChem CID 63615475) has the molecular formula C13H12FN3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine
PubChem CID63615475
Molecular FormulaC13H12FN3S
Molecular Weight261.32 g/mol
Exact Mass261.07
IUPAC Name5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine
SMILESCCc1cc(-c2nc3ccc(F)cc3[nH]2)c(N)s1
InChIInChI=1S/C13H12FN3S/c1-2-8-6-9(12(15)18-8)13-16-10-4-3-7(14)5-11(10)17-13/h3-6H,2,15H2,1H3,(H,16,17)
InChIKeyYNQLIWVYANZKIG-UHFFFAOYSA-N
XLogP3.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614668
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
5-methyl-3-(6-methyl-1H-benzimidazol-2-yl)thiophen-2-amine
CID 55250119
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614015
2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136980082
4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole
CID 65198564
3-(6-methoxy-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 65017726
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 54919597
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
2-(5-bromofuran-2-yl)-6-fluoro-1H-benzimidazole
CID 13004835
2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole
CID 60977715

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine (CID 63615475) is 5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine is CCc1cc(-c2nc3ccc(F)cc3[nH]2)c(N)s1.
What is the InChIKey of 5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine?
The InChIKey is YNQLIWVYANZKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-2-8-6-9(12(15)18-8)13-16-10-4-3-7(14)5-11(10)17-13/h3-6H,2,15H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine?
5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine has a molecular weight of 261.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 63615475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).