3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine

C13H12FN3S — CID 60783425

IUPAC3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
SMILESCCn1c(-c2ccsc2N)nc2cc(F)ccc21
InChIInChI=1S/C13H12FN3S/c1-2-17-11-4-3-8(14)7-10(11)16-13(17)9-5-6-18-12(9)15/h3-7H,2,15H2,1H3
InChIKeyGNFXCMLOXLYHIK-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.51
Rot. Bonds2

About 3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine

3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine (PubChem CID 60783425) has the molecular formula C13H12FN3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
PubChem CID60783425
Molecular FormulaC13H12FN3S
Molecular Weight261.32 g/mol
Exact Mass261.07
IUPAC Name3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
SMILESCCn1c(-c2ccsc2N)nc2cc(F)ccc21
InChIInChI=1S/C13H12FN3S/c1-2-17-11-4-3-8(14)7-10(11)16-13(17)9-5-6-18-12(9)15/h3-7H,2,15H2,1H3
InChIKeyGNFXCMLOXLYHIK-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
CID 60784226
5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 54919875
3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784251
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine
CID 60786421
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
CID 63743435
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
2-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-3-amine
CID 60783962
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113307952
[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380869

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine (CID 60783425) is 3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine is CCn1c(-c2ccsc2N)nc2cc(F)ccc21.
What is the InChIKey of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine?
The InChIKey is GNFXCMLOXLYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-2-17-11-4-3-8(14)7-10(11)16-13(17)9-5-6-18-12(9)15/h3-7H,2,15H2,1H3.
What are the key properties of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine?
3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine has a molecular weight of 261.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 60783425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).